Basic information
- CAS
27696-37-3- Standard SMILES
Cc1ccc(C(=O)O)c(N)c1Cl- InChIKey
IRDSLZYXLQZMRI-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO2
- Average molar mass
- 185.61 g/mol
- Monoisotopic mass
- 185.0243562
Names & identifiers
- Preferred name
- 2-Amino-3-chloro-4-methylbenzoic acid
- IUPAC
- 2-amino-3-chloro-4-methylbenzoic acid
- English name
- Benzoic acid, 2-amino-3-chloro-4-methyl-
- Molecular formula
- C8H8ClNO2
- Molecular weight
- 185.61
Names & synonyms
2-amino-3-chloro-4-methylbenzoic acid27696-37-3MFCD20643904Benzoic acid, 2-amino-3-chloro-4-methyl-SCHEMBL7308399CBA696372-amino-3-chloro-4-methylbenzoicacidAKOS0175320072-amino-3-chloro-4-methyl-benzoic acidBS-16409DB-134460CS-0161465
Show more names
D83263EN300-343216F690507Z1262523764
Database identifiers
- CAS
27696-37-3- PubChem CID
- 14885546
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 195 °C · 195 °C
- Boiling point
- 335.3 · 335.3±42.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 4.74 · 4.74±0.10(Predicted)
- Appearance
- Light yellow to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Suppliers13 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
徐州睿诚致合生物医药技术有限公司15195955353 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
温州共赢化学有限公司0577-64498589 15325081899 · [email protected]
常州安赛普化工有限公司0519-86305871 13961213398 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京英士奇生物科技有限公司18727012071 18727012071 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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