Basic information
- CAS
34231-49-7- Standard SMILES
CN(C)C(=O)c1ccc(C(=O)O)cc1- InChIKey
LHIJETBHEKJGOK-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
Names & identifiers
- Preferred name
- 4-(Dimethylcarbamoyl)benzoic acid
- IUPAC
- 4-(dimethylcarbamoyl)benzoic acid
- English name
- 4-(dimethylcarbamoyl)benzoic acid
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
4-(dimethylcarbamoyl)benzoic Acid34231-49-7RefChem:516001816-620-74-(N,N-dimethylaminocarbonyl)benzoic acidMFCD121734944-[(Dimethylamino)carbonyl]-benzoic acidSCHEMBL4589264-dimethylcarbamoylbenzoic acid4-(dimethylcarbamoyl)benzoicAcidLHIJETBHEKJGOK-UHFFFAOYSA-NJBA23149
Show more names
Benzoic acid, 4-[(dimethylamino)carbonyl]-
4-(Dimethylaminocarbonyl)benzoic acidAKOS009498769BS-33901SY040905DB-305150CS-0208486EN300-68370G22414
Database identifiers
- CAS
34231-49-7- PubChem CID
- 11095480
- EC Number
- 816-620-7
- Nikkaji
- J2.881.637E
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 169 · 169-172 °C
- Boiling point
- 394.4 · 394.4±25.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.9 · 3.90±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers16 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
南京励合化学新材料有限公司025-87787262
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Wuhan ChemNorm Biotech Co.,Ltd.+86-27-8439 4403 18971486879 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
诺圣华控股集团有限公司+86-023-62871537 · [email protected]
武汉顶全科技有限公司18971486879 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
Related reactions
27 records
Compound notes
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