Basic information
- CAS
33495-09-9- Standard SMILES
O=C1Cc2ccc(C(=O)O)cc2N1- InChIKey
IIKVTJWRBSYRSA-UHFFFAOYSA-N- Molecular formula
- C9H7NO3
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.04259308
Names & identifiers
- Preferred name
- 2-Oxo-1,3-dihydroindole-6-carboxylic acid
- IUPAC
- 2-oxo-1,3-dihydroindole-6-carboxylic acid
- English name
- 2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid
- Molecular formula
- C9H7NO3
- Molecular weight
- 177.16
Names & synonyms
2-oxo-1,3-dihydroindole-6-carboxylic Acid33495-09-9RefChem:477640857-303-3334952-09-92-oxoindoline-6-carboxylic acid6-Carboxyoxindole2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid2-Oxo-indoline-6-carboxylic AcidMFCD014158012-OXINDOLE-6-CARBOXYLIC ACID1H-Indole-6-carboxylic acid, 2,3-dihydro-2-oxo-
Show more names
RARECHEM AL BO 09846-Carboxyl-2-oxindoleIntedanib Impurity 306-OXINDOLECARBOXYLIC ACIDOXINDOLE-6-CARBOXYLIC ACID2-Oxyindole-6-carboxylic acid
Nintedanib Impurity 34Intedanib Impurity ANintedanib Impurity 123QL6B6GZ98USCHEMBL3988182-oxoindoline-6-carboxylicacid2-indolinone-6-carboxylic acidorb3181159
Database identifiers
- CAS
33495-09-9、334952-09-9- PubChem CID
- 7213323
- DTXSID
DTXSID90428451- UNII
- QL6B6GZ98U
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 438.1 · 438.1±45.0 °C(Predicted)
- Density
- 1.433 · 1.433±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.94 · 3.94±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (50%)
Safety data
- hs_code
- 2933998090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers94 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
27 records
Compound notes
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