Basic information
- CAS
323579-00-6- Standard SMILES
Cc1nc2cc(Cl)c(N)cc2o1- InChIKey
VZICVFYCZDSEFK-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O
- Average molar mass
- 182.61 g/mol
- Monoisotopic mass
- 182.02469052
Names & identifiers
- Preferred name
- 2-Methyl-5-chloro-6-benzoxazolamine
- IUPAC
- 5-chloro-2-methyl-1,3-benzoxazol-6-amine
- English name
- 2-Methyl-5-chloro-6-benzoxazolamine
- Molecular formula
- C8H7ClN2O
- Molecular weight
- 182.61
Names & synonyms
2-Methyl-5-chloro-6-benzoxazolamine323579-00-65-Chloro-2-methyl-1,3-benzoxazol-6-amineMFCD073686366-Benzoxazolamine, 5-chloro-2-methyl-SCHEMBL5857975DTXSID304608355-chloro-2-methylbenzoxazole-6-ylamine5-chloro-2-methylbenzo[d]oxazol-6-amineSCHEMBL30995441YMA57900SBB051985
Show more names
2-methyl-5-ch1oro-6-benzoxazo lamine2-Methyl-5-chloro-6-aminobenzoxazole2-METHYL-5-CHLORO-6-BENZOXAZOLAMINE 99%
6-Amino-5-Chloro-2-MethylbenzoxazoleAKOS006287480CS-W021723s10266SY110265TS-02545ST50949500F064958
Database identifiers
- CAS
323579-00-6- PubChem CID
- 11275404
- DTXSID
DTXSID30460835- EC Number
- 608-731-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 202 · 202-203 °C
- Boiling point
- 306.2 · 306.2±22.0 °C(Predicted)
- Density
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 1.1 · 1.10±0.10(Predicted)
- Appearance
- Purple to brown Solid
- CAS DataBase Reference
- 323579 · 323579-00-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers56 total
宁波振岳医药科技有限公司19817745290 · [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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
Related reactions
13 records
Compound notes
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