Thiocyanic acid,4-(dimethylamino)phenyl ester

Modify Date: 2026-07-01 09:43:46

Thiocyanic acid,4-(dimethylamino)phenyl ester Structure
Thiocyanic acid,4-(dimethylamino)phenyl ester structure
 Common Name Thiocyanic acid,4-(dimethylamino)phenyl ester
CAS Number 7152-80-9 Molecular Weight 178.25400
Density 1.16 g/cm3 Boiling Point 303.6ºC at760mmHg
Molecular Formula C9H10N2S Melting Point 71-73ºC
MSDS N/A Flash Point 137.4ºC

 Names

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

Name [4-(dimethylamino)phenyl] thiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

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

Density 1.16 g/cm3
Boiling Point 303.6ºC at760mmHg
Melting Point 71-73ºC
Molecular Formula C9H10N2S
Molecular Weight 178.25400
Flash Point 137.4ºC
Exact Mass 178.05600
PSA 52.33000
LogP 2.32578
Index of Refraction 1.599
InChIKey WCCIEZDFRJREQJ-UHFFFAOYSA-N
SMILES CN(C)c1ccc(SC#N)cc1

 Toxicological Information

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BX8050000
CHEMICAL NAME :
Aniline, N,N-dimethyl-p-thiocyanato-
CAS REGISTRY NUMBER :
7152-80-9
BEILSTEIN REFERENCE NO. :
2089838
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C9-H10-N2-S
MOLECULAR WEIGHT :
178.27
WISWESSER LINE NOTATION :
NCSR DN1&1

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 :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
28ZEAL "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969 Volume(issue)/page/year: 4,181,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
55 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Lungs, Thorax, or Respiration - respiratory stimulation Lungs, Thorax, or Respiration - other changes
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02758
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1260 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

 Safety Information

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

HS Code 2930909090

 Customs

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

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Bioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
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 Synonyms

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

Me2NC6H4SCN
Caswell No. 359E
p-(Dimethylamino)thiocyanobenzene
Defoliant 2929 RP
4-(Dimethylamino)phenyl thiocyanate
p-SCN-C6H4NMe2
N,N-dimethyl-4-thiocyanatobenzenamine
p-Thiocyanodimethylaniline
N,N-dimethyl-4-thiocyanatobenzeneamine
4-N,N-dimethylaminophenyl thiocyanate
4-Thiocyano-N,N-dimethylaniline
p-(Dimethylamino)phenylthiocyanate
Dimethylaminorhodanbenzol
Thiocyanic acid,4-(dimethylamino)phenyl ester
4-thiocyanato-N,N-dimethylaniline

  | FAQ

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

Q: What is the CAS number of [4-(dimethylamino)phenyl] thiocyanate?
A: CAS number of [4-(dimethylamino)phenyl] thiocyanate is 7152-80-9.
Q: What is the melting point of [4-(dimethylamino)phenyl] thiocyanate?
A: Melting point of [4-(dimethylamino)phenyl] thiocyanate is 71-73ºC.
Q: What are the upstream materials of [4-(dimethylamino)phenyl] thiocyanate?
A: Related upstream materials(CAS) of [4-(dimethylamino)phenyl] thiocyanate: 333-20-0;121-69-7;540-72-7;592-87-0;2959-01-5;60763-20-4;2987-46-4;74-88-4.
Q: What are the downstream products of [4-(dimethylamino)phenyl] thiocyanate?
A: Related downstream products(CAS) of [4-(dimethylamino)phenyl] thiocyanate: 333-20-0;5397-29-5;100-32-3;63116-13-2;62291-59-2;62291-60-5;62291-61-6;62291-62-7.
Q: What is the SMILES notation of [4-(dimethylamino)phenyl] thiocyanate?
A: SMILES notation of [4-(dimethylamino)phenyl] thiocyanate is CN(C)c1ccc(SC#N)cc1.
Q: What is the molecular weight of [4-(dimethylamino)phenyl] thiocyanate?
A: Molecular weight of [4-(dimethylamino)phenyl] thiocyanate is 178.25400.
Q: What is the polar surface area (PSA) of [4-(dimethylamino)phenyl] thiocyanate?
A: Polar surface area (PSA) of [4-(dimethylamino)phenyl] thiocyanate is 52.33000.
Q: What is the molecular formula of [4-(dimethylamino)phenyl] thiocyanate?
A: Molecular formula of [4-(dimethylamino)phenyl] thiocyanate is C9H10N2S.
Q: What is the LogP of [4-(dimethylamino)phenyl] thiocyanate?
A: LogP of [4-(dimethylamino)phenyl] thiocyanate is 2.32578.
Q: What is the InChIKey of [4-(dimethylamino)phenyl] thiocyanate?
A: InChIKey of [4-(dimethylamino)phenyl] thiocyanate is WCCIEZDFRJREQJ-UHFFFAOYSA-N.

 factory

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.
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Chemsrc provides CAS#:7152-80-9 MSDS, density, melting point, boiling point, structure, etc. Its name is Thiocyanic acid,4-(dimethylamino)phenyl ester>> amp version: Thiocyanic acid,4-(dimethylamino)phenyl ester

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