Basic information
- CAS
31457-03-1- Standard SMILES
CC1Cc2cccc(C(=O)O)c2O1- InChIKey
HWCCVMGTQFWJSS-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Names & identifiers
- Preferred name
- 2-Methyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
- IUPAC
- 2-methyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
- English name
- 7-Benzofurancarboxylicacid, 2,3-dihydro-2-methyl-
- Molecular formula
- C10H10O3
- Molecular weight
- 178.18
Names & synonyms
2-methyl-2,3-dihydro-1-benzofuran-7-carboxylic acidRefChem:474975842-743-031457-03-12-methyl-2,3-dihydrobenzofuran-7-carboxylic acidMFCD016598407-Benzofurancarboxylic acid, 2,3-dihydro-2-methyl-7-Benzofurancarboxylicacid, 2,3-dihydro-2-methyl-2,3-Dihydro-2-methyl-7-benzofurancarboxylic acidBRN 0163414NSC991353-Methyl-1,3-dihydroisobenzofuran-1-carboxylic acid
Show more names
NCIOpen2_0020415-18-06-00391 (Beilstein Handbook Reference)SCHEMBL4829723HWCCVMGTQFWJSS-UHFFFAOYSA-NDTXSID901384951GBA45703NSC 99135NSC-99135
Database identifiers
- CAS
31457-03-1- PubChem CID
- 98308
- DTXSID
DTXSID901384951- EC Number
- 842-743-0
- Nikkaji
- J2.103.539D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 120 · 120-123 °C
- Boiling point
- 327.9 · 327.9±31.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- pka
- 4.17 · 4.17±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
Related reactions
1 records
Compound notes
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