Benzoic acid, 2-(3-amino-4-chlorobenzoyl)-
Basic information
- CAS
118-04-7- Standard SMILES
Nc1cc(C(=O)c2ccccc2C(=O)O)ccc1Cl- InChIKey
MQECGSWGDQIHHD-UHFFFAOYSA-N- Molecular formula
- C14H10ClNO3
- Average molar mass
- 275.68 g/mol
- Monoisotopic mass
- 275.0349209
Names & identifiers
- Preferred name
- Benzoic acid, 2-(3-amino-4-chlorobenzoyl)-
- IUPAC
- 2-(3-amino-4-chlorobenzoyl)benzoic acid
- English name
- 2-(3-Amino-4-chloro-benzoyl)benzoic acid
- Molecular formula
- C14H10ClNO3
- Molecular weight
- 275.69
Names & synonyms
2-(3-Amino-4-chlorobenzoyl)benzoic acid118-04-7Benzoic acid, 2-(3-amino-4-chlorobenzoyl)-o-(3-Amino-4-chlorobenzoyl)benzoic acidBenzoic acid, o-(3-amino-4-chlorobenzoyl)-EINECS 204-230-4NSC 74496DTXSID9059466RefChem:118322DTXCID9033426Benzoic acid, o-(3-amino-4-chlorobenzoyl)-(8CI)204-230-4
Show more names
NH2-CBBLABOTEST-BB LT00012586Chlortalidone Impurity 142-(3-Amino-4-chlorobenzoyl)ben3-Amino-2-Carboxy-4-Chlorobenzophenone2-(3-amino-4-chlorobenzoyl)-benzoicaci2-(4-CHLORO-3-AMINOBENZOYL) BENZOIC ACID
MQECGSWGDQIHHD-UHFFFAOYSA-N2-(3-Amino-4-chloro-benzoyl)benzoic acid2-(3-Amino-4-chlorobenzoyl)benzoic Acid)MFCD000076722-(3'-Amino-4'-chlorobenzoyl)benzoic acid25WF7LMF9KChlortalidone Impurity 4Oprea1_159790
Database identifiers
- CAS
118-04-7- PubChem CID
- 67037
- DTXSID
DTXSID9059466- UNII
- 25WF7LMF9K
- EC Number
- 204-230-4
- Nikkaji
- J193.626C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Melting point
- 181.5 · 181.5-182.0 °C(Solv: ethanol (64-17-5))
- Boiling point
- 538.6 · 538.6±50.0 °C(Predicted)
- Density
- 1.418 · 1.418±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.24 · 3.24±0.36(Predicted)
- color
- Pale Yellow
- CAS DataBase Reference
- 118 · 118-04-7(CAS DataBase Reference)
- FDA UNII
- 25 WF7LMF9K · 25WF7LMF9K
- EPA Substance Registry System
- 2 · Benzoic acid, 2-(3-amino-4-chlorobenzoyl)- (118-04-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
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
H302 (14.3%): 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-(3-amino-4-chlorobenzoyl)benzoic acid (EC: 204-230-4)
Hazard Classes and CategoriesAcute Tox. 4 (14.3%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-(3-amino-4-chlorobenzoyl)-: ACTIVE
Applications
Uses2-(3-Amino-4-chlorobenzoyl)benzoic Acid is a useful synthetic intermediate. It is used to prepare protein kinase C phosphorylates synthetic fluorescent reporter.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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