Basic information
- CAS
57543-68-7- Standard SMILES
N#CC1=Cc2cc(Br)ccc2OC1- InChIKey
SIAGUJHXCCKDQM-UHFFFAOYSA-N- Molecular formula
- C10H6BrNO
- Average molar mass
- 236.06 g/mol
- Monoisotopic mass
- 234.96328
Names & identifiers
- Preferred name
- 6-Bromo-2H-1-benzopyran-3-carbonitrile
- IUPAC
- 6-bromo-2H-chromene-3-carbonitrile
- English name
- 6-Bromo-2H-chromene-3-carbonitrile
- Molecular formula
- C10H6BrNO
- Molecular weight
- 236.06
Names & synonyms
57543-68-76-Bromo-2H-1-benzopyran-3-carbonitrile2H-1-BENZOPYRAN-3-CARBONITRILE, 6-BROMO-DTXSID50206171RefChem:1073835DTXCID501286626-bromo-2H-chromene-3-carbonitrileMFCD01662293BRN 1370600SCHEMBL414773SIAGUJHXCCKDQM-UHFFFAOYSA-NALBB-019702
Show more names
BUTTPARK 52\08-036-Bromo-3-cyano-2H-chromene6-bromo-2h-1-benzopyran-3-carbonitril
SBB098513AKOS000264907AB09668AS-9983AC-22772DB-369079CS-0140421F73316
Database identifiers
- CAS
57543-68-7- PubChem CID
- 42439
- DTXSID
DTXSID50206171- Nikkaji
- J132.061K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
- HS Code
- 2932990090 · 2932990090
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
- 2932990090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers22 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
淮安海玻瑞恩医药研发有限公司
Related reactions
1 records
Compound notes
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