3-Indolebutyric acid

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Names

[ CAS No. ]:
133-32-4

[ Name ]:
3-Indolebutyric acid

[Synonym ]:
beta-indolebutyricacid
3-INDOLEBUTYVIC ACID
4-(3-Indolyl)-butyric acid
EINECS 205-101-5
3-indolyl-gamma-butyricacid
4-(indolyl)-butyricaci
1h-indole-3-butanoicacid
IBA
4-indolylbutyric acid
3-IndolybutYHic acid
4-(3-INDOLE)-BUTYRIC ACID
4-(3-Indolyl)butyric acid
Indole-3 Butyric acid
gamma-(indol-3-yl)butyricacid
4-indol-3-ylbutanoic acid
1H-INDOLE-3-BUTYRICACID
3-Indolebutyric Acid(Iba)
Seradix
4-(3-Indolyl)butyric acid (4-(3-Indolyl)butanoic acid
INDOLE 3 BUTYRIC ACID
INDOLEBUTYRIC ACID
4-(3-INDOLE)BUTYRIC ACID
4-(3-Indolyl)butanoic acid
4-(indol-3-yl)butyricacid
3-METHYL-2-PHENYLPYRIDINE
gamma-(3-indolyl)butyricacid
3-Indolebutyric acid
4-(1H-Indol-3-yl)butanoic acid
T56 BMJ D3VQ
Indole-3-butyric acid
Indole 3-butyric acid
3-INDOLE BUTYRIC ACID
3-Indolebutyricacid
1H-Indole-3-butanoic acid
4-(1H-indol-3-yl)butyric acid
3-IODOLEBUTYRIC ACID
MFCD00005664
3-Indolybutyric acid
3-INDOLBUTYRIC ACID

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
426.6±20.0 °C at 760 mmHg

[ Melting Point ]:
124-125.5 °C(lit.)

[ Molecular Formula ]:
C12H13NO2

[ Molecular Weight ]:
203.237

[ Flash Point ]:
211.8±21.8 °C

[ Exact Mass ]:
203.094635

[ PSA ]:
53.09000

[ LogP ]:
2.34

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.646

[ Storage condition ]:
2-8°C

[ Stability ]:
Stable. Incompatible with strong oxidizing agents. Light sensitive.

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL5250000
CHEMICAL NAME :
1H-Indole-3-butanoic acid
CAS REGISTRY NUMBER :
133-32-4
BEILSTEIN REFERENCE NO. :
0171120
LAST UPDATED :
199701
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C12-H13-N-O2
MOLECULAR WEIGHT :
203.26
WISWESSER LINE NOTATION :
T56 BMJ D3VQ

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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 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 :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Human Leukocyte
DOSE/DURATION :
100 nmol/L
REFERENCE :
EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 32,29,1976 *** 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1123 No. of Facilities: 144 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 864 (estimated)

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H315-H319-H335

[ Precautionary Statements ]:
P261-P301 + P310-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T:Toxic

[ Risk Phrases ]:
R25;R36/37/38

[ Safety Phrases ]:
S26-S36-S45-S38-S36/37/39-S28A

[ RIDADR ]:
UN 2811 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
NL5250000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2942000000

Synthetic Route

Precursor & DownStream

Precursor

  • 4-(2-carboxyindol-3-yl)butyric acid
  • 4-(2-ethoxycarbonyl-indol-3-yl)-butyric acid ethyl ester
  • 5-(2-amino-phenyl)-6-chloro-hex-5-enoic acid
  • 1-hydroxy-carbazole-2-carboxylic acid
  • Indole-3-butyronitrile
  • Indole
  • 1,2,3,4-Tetrahydrocyclopenta[b]indole
  • 6-chloromethylene-3,4,5,6-tetrahydro-1H-benz[b]azocin-2-one

DownStream

  • 1H-Indole-3-butanoic acid monosodium salt
  • siramesine
  • 1H-Carbazol-1-one,2,3,4,9-tetrahydro-
  • 4-(1H-indol-3-yl)butanehydrazide
  • 3-Indoleacetic acid
  • (1H-Indol-3-yl)-1-propanamine
  • 2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
  • 4-(2-oxo-2,3-dihydro-1h-indol-3-yl)butanoic acid
  • 1H-Carbazol-1-one,2,3,4,9-tetrahydro-9-methyl-
  • 4-(1H-Indol-3-yl)-1-butanamine

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-Indolebutyric acid
  • 3-indolebutyric acid sodium salt
  • (2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
  • (2S)-3-(1H-indol-3-yl)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
  • 3-THIOPHENEBUTANOIC ACID
  • 3-phosphonobutanoic acid