Amitrole

Modify Date: 2026-06-29 17:22:32

Amitrole structure	Common Name	Amitrole
	CAS Number	61-82-5	Molecular Weight	84.080
	Density	1.8±0.1 g/cm3	Boiling Point	85.4±23.0 °C at 760 mmHg
	Molecular Formula	C₂H₄N₄	Melting Point	150-153 °C(lit.)
	MSDS	Chinese USA	Flash Point	5.4±22.6 °C
	Symbol	GHS08, GHS09	Signal Word	Warning

Use of Amitrole

1H-1,2,4-Triazol-3-amine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

Summary: Amitrole (3-amino-1,2,4-triazole), CAS号61-82-5, molecular formula C2H4N4, molecular weight 84.080. White powder or crystals, melting point 150-153 °C.主要用于合成阳离子染料、药物唑嘧胺等。For research-use only, not for medical or clinical usage.

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	amitrole
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description	1H-1,2,4-Triazol-3-amine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related Catalog	Research Areas >> Others

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.8±0.1 g/cm3
Boiling Point	85.4±23.0 °C at 760 mmHg
Melting Point	150-153 °C(lit.)
Molecular Formula	C₂H₄N₄
Molecular Weight	84.080
Flash Point	5.4±22.6 °C
Exact Mass	84.043594
PSA	56.73000
LogP	-1.67
Vapour Pressure	69.5±0.2 mmHg at 25°C
Index of Refraction	1.823
InChIKey	KLSJWNVTNUYHDU-UHFFFAOYSA-N
SMILES	Nc1ncn[nH]1
Stability	Stable. Incompatible with iron, copper, aluminium, acids, alkalies, strong oxidizing agents, acid chlorides, acid anhydrides. Forms chelates with some metals. Moisture sensitive.
Water Solubility	280 g/L (20 ºC)

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Amitrole MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ3850000

CHEMICAL NAME :: s-Triazole, 3-amino-

CAS REGISTRY NUMBER :: 61-82-5

LAST UPDATED :: 199712

DATA ITEMS CITED :: 71

MOLECULAR FORMULA :: C2-H4-N4

MOLECULAR WEIGHT :: 84.10

WISWESSER LINE NOTATION :: T5MN DNJ CZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 14700 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - quail

DOSE/DURATION :: >316 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 313 mg/kg/90D-C

TOXIC EFFECTS :: Endocrine - thyroid weight (goiter)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - hamster

DOSE/DURATION :: 4704 mg/kg/28W-C

TOXIC EFFECTS :: Endocrine - other changes Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4595 mg/kg/2.5Y-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Endocrine - tumors Endocrine - thyroid tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 113 gm/kg/3W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3670 mg/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Endocrine - thyroid tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 122 gm/kg/70W-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Endocrine - thyroid tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 105 gm/kg/60W-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Endocrine - thyroid tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 366 gm/kg/26W-C

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 700 ug/kg

SEX/DURATION :: female 22 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - endocrine system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 2600 mg/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1935 mg/kg

SEX/DURATION :: female 6-14 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 4176 mg/kg

SEX/DURATION :: female 6-14 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: Specific locus test

MUTATION DATA

TYPE OF TEST :: Mutation in mammalian somatic cells

TEST SYSTEM :: Rodent - hamster Embryo

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 140,205,1984 *** REVIEWS *** ACGIH TLV-Animal carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 0.2 mg/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 7,31,1974 IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 41,293,1986 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 7,31,1974 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 41,293,1986 IARC Cancer Review:Group 2B IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,92,1987 TOXICOLOGY REVIEW DTTIAF Deutsche Tieraerztliche Wochenschrift. (Hanover, Fed. Rep. Ger.) V.1-77, 1893-1970. Volume(issue)/page/year: 80,485,1973 TOXICOLOGY REVIEW 85CVA2 "Oncology 1970, Proceedings of the Tenth International Cancer Congress," Chicago, Year Book Medical Pub., 1971 Volume(issue)/page/year: 5,250,1970 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.2 mg/m3 JAN 1993 OEL-AUSTRIA:TWA 0.2 mg/m3 JAN 1993 OEL-BELGIUM:TWA 0.2 mg/m3 JAN 1993 OEL-DENMARK:TWA 0.2 mg/m3;Carcinogen JAN 1993 OEL-FINLAND;Carcinogen JAN 1993 OEL-GERMANY:TWA 0.2 mg/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 0.2 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 0.2 mg/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO AMITROLE-air:8H CA TWA 0.2 mg/m3 REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84718 No. of Facilities: 8 (estimated) No. of Industries: 3 No. of Occupations: 4 No. of Employees: 693 (estimated) No. of Female Employees: 24 (estimated)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS08, GHS09
Signal Word	Warning
Hazard Statements	H361d-H373-H411
Precautionary Statements	P273-P281
Personal Protective Equipment	Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	Xn:Harmful
Risk Phrases	R48/22;R51/53;R63
Safety Phrases	S13-S36/37-S61
RIDADR	UN 3077 9/PG 3
WGK Germany	2
RTECS	XZ3850000
Hazard Class	9.0
HS Code	29339990

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 10
CAS#:64-18-6 Formic Acid CAS#:2582-30-1 Aminoguanidine ... CAS#:75232-02-9 5-mercapto-1,2,... CAS#:1118-03-2 AZIDOTRIMETHYLTIN
CAS#:71831-21-5 (4-(Bromomethyl... CAS#:103778-82-1 6-nitro-1H-[1,2... CAS#:290-87-9 s-triazine CAS#:79-17-4 Hydrazinecarbox...
CAS#:80772-98-1 6-Nitro-[1,2,4]... CAS#:100-46-9 Benzylamine
DownStream 10
CAS#:104035-16-7 (5-amino-1,2,4-... CAS#:1093625-98-9 2-(6-Chloropyri... CAS#:36411-52-6 2-Hydroxy-N-1H-... CAS#:14384-66-8 4h,5h-[1,2,4]tr...
CAS#:1489-02-7 1H-1,2,4-Triazo... CAS#:89033-07-8 3-Imino-2,3-dih... CAS#:142954-77-6 5-phenyl-1,7-di... CAS#:92673-40-0 SULFAMIDE
CAS#:21041-85-0 5-azido-1H-1,2,... CAS#:19923-09-2 ethyl N-(5-amin...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

This table lists relevant public references with title, journal and publication metadata for this compound.

S-nitrosylation triggers ABI5 degradation to promote seed germination and seedling growth.

Nat. Commun. 6 , 8669, (2015)

Plant survival depends on seed germination and progression through post-germinative developmental checkpoints. These processes are controlled by the stress phytohormone abscisic acid (ABA). ABA regula...

Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.

J. Med. Chem. 51 , 6740-51, (2008)

The work provides a new model for the prediction of the MAO-A and -B inhibitor activity by the use of combined complex networks and QSAR methodologies. On the basis of the obtained model, we prepared ...

Direct and indirect inactivation of tumor cell protective catalase by salicylic acid and anthocyanidins reactivates intercellular ROS signaling and allows for synergistic effects.

Carcinogenesis 36(3) , 400-11, (2015)

Salicylic acid and anthocyanidins are known as plant-derived antioxidants, but also can provoke paradoxically seeming prooxidant effects in vitro. These prooxidant effects are connected to the potenti...

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

4H-1,2,4-Triazol-3-amine

Emisol

Triazol-3-amine

Cytrol

Amizol

Weedazol

AZOLAN

1H-1,2,4-Triazol-3-amine

EINECS 200-521-5

3-amino-s-triazole

Amerol

ATA

3-amino-1,2,4-triazol

1,2,4-triazol-3-amine

Vorox

MFCD00005230

3-AT

T5MN DNJ CZ

diurol

3-Amino-1,2,4-triazole

aminotriazole

3-AMINO-(1H)-1,2,4- TRIAZOLE

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of amitrole?

A: SMILES notation of amitrole is Nc1ncn[nH]1.

Q: What is the LogP of amitrole?

A: LogP of amitrole is -1.67.

Q: What are the uses of amitrole?

A: Main uses of amitrole: 1H-1,2,4-Triazol-3-amine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

Q: What is the polar surface area (PSA) of amitrole?

A: Polar surface area (PSA) of amitrole is 56.73000.

Q: What is the safety information for amitrole?

A: Safety information for amitrole: S13-S36/37-S61.

Q: What are the upstream materials of amitrole?

A: Related upstream materials(CAS) of amitrole: 64-18-6;2582-30-1;75232-02-9;1118-03-2;71831-21-5;103778-82-1;290-87-9;79-17-4;80772-98-1;100-46-9.

Q: What is the English name of amitrole?

A: The English name of amitrole is amitrole.

Q: What is the molecular weight of amitrole?

A: Molecular weight of amitrole is 84.080.

Q: How is the water solubility of amitrole?

A: Water solubility of amitrole: 280 g/L (20 ºC).

Q: What is the CAS number of amitrole?

A: CAS number of amitrole is 61-82-5.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

Henan Tianfu Chemical Co., Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Amitrole
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Triazol-3-amine
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: Amitrole
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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Use of Amitrole

Names

Amitrole Biological Activity

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

Precursor & DownStream

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Amitrole | FAQ

Amitrolefactory

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