Basic information
- CAS
52112-68-2- Standard SMILES
Nc1nc2ccc(Cl)cc2o1- InChIKey
QDMXVLGVKMTTIT-UHFFFAOYSA-N- Molecular formula
- C7H5ClN2O
- Average molar mass
- 168.58 g/mol
- Monoisotopic mass
- 168.0090405
Names & identifiers
- Preferred name
- Benzoxazole, 2-amino-6-chloro-
- IUPAC
- 6-chloro-1,3-benzoxazol-2-amine
- English name
- 6-Chlorobenzo[d]oxazol-2-amine
- Molecular formula
- C7H5ClN2O
- Molecular weight
- 168.58
Names & synonyms
2-Amino-6-chlorobenzoxazole52112-68-22-Benzoxazolamine, 6-chloro-6-Chloro-2-benzoxazolamineBENZOXAZOLE, 2-AMINO-6-CHLORO-NSC 24991DTXSID60200125RefChem:328265DTXCID601226162-Benzoxazolamine, 6-chloro-(9CI)6-Chlorobenzo[d]oxazol-2-amine6-chloro-1,3-benzoxazol-2-amine
Show more names
2-Benzoxazolamine, 6-chloro- (9CI)(6-chloro-1,3-benzoxazol-2-yl)amine
MFCD01664218MLS002639031CHEMBL1889525NSC24991cid_40237SCHEMBL9896463HMS3093D21ALBB-016547
Database identifiers
- CAS
52112-68-2- PubChem CID
- 40237
- DTXSID
DTXSID60200125- ChEMBL
CHEMBL1889525- Nikkaji
- J67.891K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 184 °C · 184 °C
- Boiling point
- 316.8 · 316.8±34.0 °C(Predicted)
- Density
- 1.4369 · 1.4369 (rough estimate)
- refractive index
- 1.5618 · 1.5618 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 1.17 · 1.17±0.30(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses6-Chlorobenzo[d]oxazol-2-amine is an organic compound that is often used as an intermediate in the synthesis of pharmaceuticals, pesticides, and other chemicals.
Suppliers64 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Wuhan Konberd Biotech Co., Ltd+undefined-18986093962 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [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]
上海景颜化工科技有限公司13817811078 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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