1H-Indole-7-carboxylic acid

HCID 74281CAS 1670-83-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1cccc2cc[nH]c12
InChIKey
IPDOBVFESNNYEE-UHFFFAOYSA-N
Molecular formula
C9H7NO2
Average molar mass
161.16 g/mol
Monoisotopic mass
161.04767847

Names & identifiers

Preferred name
1H-Indole-7-carboxylic acid
IUPAC
1H-indole-7-carboxylic acid
English name
1H-Indole-7-carboxylic acid
Molecular formula
C9H7NO2
Molecular weight
161.16

Names & synonyms

Indole-7-carboxylic acid1H-Indole-7-carboxylic acid1670-83-3EINECS 216-801-5DTXSID1061869RefChem:79884DTXCID6035360216-801-5IPDOBVFESNNYEE-UHFFFAOYSA-NMFCD00210442CHEMBL20181591~{H}-indole-7-carboxylic acid
Show more names
JACS-1670-83-37-Carboxy-1H-indoleRARECHEM AL BE 0640Indole-7-carboxylicacid98%Indole-7-carboxylicAcid>1H-INDOLE-7-CARBOXYLIC ACIDIndole-7-carboxylic acid 98%
7-Indolecarboxylic acid7-CARBOXYINDOLEKXQIndole-7-carboxlic acidindole 7-carboxylic acid1H-indol-7-carboxylic acidOprea1_470510Oprea1_510927

Database identifiers

CAS
1670-83-3
PubChem CID
74281
DTXSID
DTXSID1061869
ChEMBL
CHEMBL2018159
UNII
K7YV38W955
EC Number
216-801-5
Nikkaji
J195.310I

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
53.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
202 °C · 202 °C
Boiling point
419.6 · 419.6±18.0 °C(Predicted)
Density
1.408 · 1.408±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
form
powder to crystal
pka
4.55 · 4.55±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (50%)

Safety data

tsca
TSCA listed
hs_code
2933998090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Indole-7-carboxylic acid: ACTIVE

Applications

UsesIndole-7-carboxylic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

118 records
New reaction record

Linked notes

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