Basic information
- CAS
582-80-9- Standard SMILES
O=C(O)c1ccc(NC(=O)c2ccccc2)cc1- InChIKey
UZKKMWJMAJGMPF-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- 4-(Benzoylamino)benzoic acid
- IUPAC
- 4-benzamidobenzoic acid
- English name
- 4-(BENZOYLAMINO)BENZOIC ACID
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24
Names & synonyms
4-benzamidobenzoic acid4-(benzoylamino)benzoic acid582-80-9Benzoic acid, 4-(benzoylamino)-NSC 74676DTXSID10291285RefChem:515175DTXCID40204242873-956-7p-(Benzoylamino)benzoic AcidMFCD004511534-(phenylcarbonylamino)benzoic acid
Show more names
NSC74676ST5183420AIDS169322AIDS-169322
Benzoic Acid deriv. 144-benzoylaminobenzoic acidSR-01000391094AKOS BBS-00007621p-benzamidobenzoic acidOprea1_712592CHEMBL71186BDBM4701
Database identifiers
- CAS
582-80-9- PubChem CID
- 252597
- DTXSID
DTXSID10291285- ChEMBL
CHEMBL71186- EC Number
- 873-956-7
- Nikkaji
- J95.763A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- EPA Substance Registry System
- 4 · Benzoic acid, 4-(benzoylamino)- (582-80-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H335-H302-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-(benzoylamino)-: ACTIVE
Applications
Usesp-(Benzoylamino)benzoic Acid, is used in the synthesis of 8-substituted benzamido-phenylxanthine derivatives, acting as MAO-B inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers53 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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Aladdin Scientific[email protected]
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Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
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Alchem Pharmtech,Inc.8485655694 · [email protected]
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ShenZhen H&D Pharmaceutical Technology Co., LTD+86-18627948422 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
5 records
Compound notes
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