Basic information
- CAS
57543-66-5- Standard SMILES
N#CC1=Cc2ccccc2OC1- InChIKey
NQOLOKKZYCSJRL-UHFFFAOYSA-N- Molecular formula
- C10H7NO
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.05276385
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3-carbonitrile
- IUPAC
- 2H-chromene-3-carbonitrile
- English name
- 2H-Chromene-3-carbonitrile
- Molecular formula
- C10H7NO
- Molecular weight
- 157.17
Names & synonyms
57543-66-52H-1-BENZOPYRAN-3-CARBONITRILEBRN 0125853DTXSID902061705-18-06-00446 (Beilstein Handbook Reference)NSC 279236RefChem:90092DTXCID901286612H-chromene-3-carbonitrileMFCD002020193-cyanochromeneNSC279236
Show more names
chromene-3-carbonitrile2h-chromene-3 carbonitrileSCHEMBL432893NQOLOKKZYCSJRL-UHFFFAOYSA-NHMS1785D13AKOS0001182674G-320SAB04718
Database identifiers
- CAS
57543-66-5- PubChem CID
- 42438
- DTXSID
DTXSID90206170- EC Number
- 692-333-9
- Nikkaji
- J132.060B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 48 · 48-49 °C
- Boiling point
- 305.8 · 305.8±42.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Off-white to light yellow Solid
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-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.
GHS classification
GHS Classification
Warning
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers39 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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]
郑州汇聚化工有限公司13393710386 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
南京诺利斯医药科技有限公司
Related reactions
5 records
Compound notes
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