Basic information
- CAS
5790-90-9- Standard SMILES
Cn1c(=O)oc2ccc(Cl)cc21- InChIKey
VORWOQGVKPXSCM-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO2
- Average molar mass
- 183.59 g/mol
- Monoisotopic mass
- 183.0087061
Names & identifiers
- Preferred name
- 2-Benzoxazolinone, 5-chloro-3-methyl-
- IUPAC
- 5-chloro-3-methyl-1,3-benzoxazol-2-one
- English name
- 5-Chloro-3-methylbenzoxazol-2(3H)-one
- Molecular formula
- C8H6ClNO2
- Molecular weight
- 183.59
Names & synonyms
5790-90-92-BENZOXAZOLINONE, 5-CHLORO-3-METHYL-5-Chloro-3-methyl-2-benzoxazolinoneDTXSID00206621RefChem:1062372DTXCID301291125-Chloro-3-Methylbenzo[d]oxazol-2(3H)-one5-chloro-3-methyl-1,3-benzoxazol-2-one5-Chloro-3-methylbenzoxazol-2(3H)-one5-chloro-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one5-chloro-3-methyl-1,3-benzoxazol-2(3H)-oneNSC 24960
Show more names
5-chloro-3-methyl-2(3H)-benzoxazoloneBrensocatib Intermediate A5-Chloro-3- Methyl -1,3-2-benzoxazol-2(3H)-oneJRH-07601, 5-Chloro-3-methylbenzo[d]oxazol-2(3H)-one, 97%
BRN 0140893NSC249602(3H)-Benzoxazolone, 5-chloro-3-methyl-Brensocatib Intermediate ASCHEMBL5544720SCHEMBL5544722SCHEMBL30537998WLN: T56 BNVOJ B1 HG
Database identifiers
- CAS
5790-90-9- PubChem CID
- 22033
- DTXSID
DTXSID00206621- Nikkaji
- J41.864A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- storage temp.
- Store at room temperature
- form
- powder
- color
- white
- Signal word
- Warning
- Hazard statements
- 331 · H331-H302-H312-H315-H319-H373
- Precautionary statements
- 260 · P260-P261-P280-P305+P351+P338-P405-P501A
- Risk Statements
- 20 · 20/21/22-33-36/38
- Safety Statements
- 26 · 26-28-36/37
- TSCA
- No
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
- tsca
- No
- risk_code
- 20/21/22-33-36/38
- Signal word
- Warning
- safety_code
- 26-28-36/37
- Hazard statements
- H331-H302-H312-H315-H319-H373
- Precautionary statements
- P260-P261-P280-P305+P351+P338-P405-P501A
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers55 total
天津欣康佑生物科技有限公司19922659386 19922659386 · [email protected]
上海美洛英特化学有限公司15821661757 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
南通小竹生物医药有限公司18015606981 · [email protected]
邹平创新药业有限公司13561560789 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
沧州那瑞化学科技有限公司18698023886 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…