3-Indoleacetic acid

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Names

[ CAS No. ]:
87-51-4

[ Name ]:
3-Indoleacetic acid

[Synonym ]:
1H-Indol-3-ylacetic acid
INDOLYL 3-ACETIC ACID
1H-Indole-3-acetic acid
b-Iaa
3-(Carboxymethyl)Indole
2-(1H-INDOL-3-YL)ACETIC ACID
2-(3-Indolyl)acetic acid
INDOLE3ACETICACID
3-Indolyl-acetic acid
3-Indolylacetic Acid
a-Iaa
(1H-INDOL-3-YL)ACETIC ACID
β-indoleacetic acid
1H-indol-3-acetic acid
Indole-3-aceticacid
EINECS 201-748-2
MFCD00005636
Heterauxin
(1H-indol-3-yl)-acetic acid
Noclosan
RHIZOPIN
INDOLE-3-BUTYRICACID
Indole-3-acetic acid
(INDOL-3-YL)ACETIC ACID
heteroauxin
3-Indoleacetic Acid
IAA
INDOL-3-YLACETIC ACID
alpha-indol-3-yl-aceticacid
JAA
3-INDOLEACETIC ACID,INDOLE-3-ACETIC ACID
3-INDOLE ACETIC ACID
indole-3-acetate
3-INDOLEACETICACID
1-(4-FLUOROPHENYL)ETHAN-1-ONE
T56 BMJ D1VQ
α-Indol-3-yl-acetic acid
indoleacetic acid
alpha-Indol-3-yl-acetic acid
Acetic acid, indolyl-
Gap
[3H]-Indoleacetic acid
INDOLEI-3-ACETIC ACID
INDOLEACETIC ACID,OFF-WHITE SOLID

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
415.0±20.0 °C at 760 mmHg

[ Melting Point ]:
165-169 °C(lit.)

[ Molecular Formula ]:
C10H9NO2

[ Molecular Weight ]:
175.184

[ Flash Point ]:
204.8±21.8 °C

[ Exact Mass ]:
175.063324

[ PSA ]:
53.09000

[ LogP ]:
1.43

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.694

[ Storage condition ]:
−20°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL3150000
CHEMICAL NAME :
1H-Indole-3-acetic acid
CAS REGISTRY NUMBER :
87-51-4
LAST UPDATED :
199710
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C10-H9-N-O2
MOLECULAR WEIGHT :
175.20
WISWESSER LINE NOTATION :
T56 BMJ D1VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 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 :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2000 mg/kg/20W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumor types after systemic administration not seen spontaneously
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
4500 mg/kg
SEX/DURATION :
female 7-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
450 mg/kg
SEX/DURATION :
female 7-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
4500 mg/kg
SEX/DURATION :
female 7-15 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 Reproductive - Specific Developmental Abnormalities - Central Nervous System
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
4500 mg/kg
SEX/DURATION :
female 7-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Mammal - species unspecified Lymphocyte
DOSE/DURATION :
250 umol/L
REFERENCE :
PYTCAS Phytochemistry. An International Journal of Plant Biochemistry. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1961- Volume(issue)/page/year: 11,3135,1972 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83421 No. of Facilities: 5 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 27 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
NL3150000

[ Packaging Group ]:
II

[ HS Code ]:
2933990090

Synthetic Route

Precursor & DownStream

Precursor

  • 1-(2-phenylethenyl)pyrrolidine
  • Indole
  • 2-(5-Bromo-1H-indol-3-yl)acetic acid
  • n-Butyllithium
  • ethyl 2-bromoacetate
  • L(-)-Tryptophan
  • Ethyl 2-(1H-indol-3-yl)acetate
  • Indole-3-pyrubate
  • DL-Tryptophan
  • Gramine

DownStream

  • N-(3-Indolylacetyl)-L-valine
  • Dimethyltryptamine
  • INDOLE-3-ACETYL-DL-ASPARTIC ACID
  • 2-(1H-Indol-3-yl)acetohydrazide
  • 1-diazo-3-(indol-3-yl)propan-2-one
  • INDOLE-3-(N,N-DIMETHYL)ACETAMIDE
  • N-(3-Indolylacetyl)-L-leucine
  • Indole-3-carboxaldehyde
  • 3-Methylindole
  • Indole-3-carbinol

Customs

[ 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%

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Related Compounds

  • 3-Indoleacetic acid-D5
  • 3-Indoleacetic acid-d7
  • 3-Indoleacetic acid,TMS
  • 3-Indoleacetic acid-13C6
  • 4-bromo-3-indoleacetic acid
  • 5-amino-3-indoleacetic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
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  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine