Basic information
- CAS
51865-84-0- Standard SMILES
CN(C=O)c1ccc(C(=O)O)cc1- InChIKey
WEMYEQBKRODOGB-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Overview
See also: Formyl-methyl-amino-benzoic acid (annotation moved to).
Names & identifiers
- Preferred name
- 4-(N-Methylformamido)benzoic acid
- IUPAC
- 4-[formyl(methyl)amino]benzoic acid
- English name
- N-Formyl-4-(methylamino)benzoic acid
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
4-(N-Methylformamido)benzoic acid51865-84-0N-Formyl-4-(methylamino)benzoic acid4-[formyl(methyl)amino]benzoic acidMFCD00210445NSC 1140134-(N-methylcarbonylamino)benzoic acidNSC114013SCHEMBL1631678SCHEMBL10833520DTXSID00297099WEMYEQBKRODOGB-UHFFFAOYSA-N
Show more names
4-(N-Methylformamido)benzoicaciFormyl-methyl-amino-benzoic acid4-(ForMylMethylaMino)benzoic acid4-[(2-oxoethyl)aMino]benzoic acidBenzoic acid, 4-(formylmethylamino)-4-(N-METHYL-N-FORMYLAMINO)BENZOIC ACID4-(N-formyl-N-Methylamino)Benzoic acidN-FORMYL-4-(METHYLAMINO)BENZOIC ACID 98%
SBB0170764-(formyl-methyl-amino)-benzoic acidAKOS015966763FF11398NSC-114013AC-22832AS-15702CS-0331901
Database identifiers
- CAS
51865-84-0
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 217 · 217-221 °C
- Boiling point
- 311.69 °C · 311.69°C (rough estimate)
- Density
- 1.2822 · 1.2822 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H225-H335
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- HS Code
- 2924297099 · 2924297099
- REACH Registrations
- Inactive
Safety & regulation
Safety data
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H315-H319-H225-H335
- REACH Registrations
- Inactive
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesN-Formyl-4-(methylamino)benzoic acid is an intermediate of methotrexate.
Upstream & downstream products
Upstream raw materials
Suppliers19 total
上海隆盛化工有限公司58099637 13585536065 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海裕英生物医药科技有限公司021-50158063 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
上海相辉医药科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
医恩医疗系统研发(上海)有限公司021-58958002 18930822973 · [email protected]
Related reactions
2 records
Compound notes
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