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27018-76-4

27018-76-4 structure
27018-76-4 structure

Name 1-benzylindole-3-carboxylic acid
Synonyms B8875_ALDRICH
1-Benzylindole-3-carboxylic acid
INDOLE-3-CARBOXYLIC ACID,1-BENZYL
1H-Indole-3-carboxylic acid, 1-(phenylmethyl)-
1-benzyl-indole-3-carboxylic acid
N-benzylindole-3-carboxylic acid
1-Benzyl-1H-indole-3-carboxylic acid
MFCD00057094
1-(phenylmethyl)-1H-indole-3-carboxylic acid
Density 1.2±0.1 g/cm3
Boiling Point 496.3±28.0 °C at 760 mmHg
Molecular Formula C16H13NO2
Molecular Weight 251.280
Flash Point 254.0±24.0 °C
Exact Mass 251.094635
PSA 42.23000
LogP 3.92
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.626
Storage condition −20°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL5995800
CHEMICAL NAME :
Indole-3-carboxylic acid, 1-benzyl-
CAS REGISTRY NUMBER :
27018-76-4
BEILSTEIN REFERENCE NO. :
0404957
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H13-N-O2
MOLECULAR WEIGHT :
251.30
WISWESSER LINE NOTATION :
T56 BNJ B1R& DVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 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#03773
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS NL5995800
HS Code 2933990090
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%