Basic information
- CAS
7537-07-7- Standard SMILES
COc1ccc(CC#N)c(Cl)c1OC- InChIKey
OHKWPKQYDBARHV-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO2
- Average molar mass
- 211.64 g/mol
- Monoisotopic mass
- 211.0400063
Names & identifiers
- Preferred name
- (2-Chloro-3,4-dimethoxyphenyl)acetonitrile
- IUPAC
- 2-(2-chloro-3,4-dimethoxyphenyl)acetonitrile
- English name
- (2-chloro-3,4-dimethoxyphenyl)acetonitrile
- Molecular formula
- C10H10ClNO2
- Molecular weight
- 211.64
Names & synonyms
2-(2-chloro-3,4-dimethoxyphenyl)acetonitrile(2-Chloro-3,4-dimethoxyphenyl)acetonitrile7537-07-7MFCD13516980EINECS 231-407-32-Chloro-3,4-dimethoxybenzeneacetonitrileBenzeneacetonitrile, 2-chloro-3,4-dimethoxy-DTXSID10226335OHKWPKQYDBARHV-UHFFFAOYSA-NAKOS022650587AS-97342-Chloro-3,4-dimethoxyphenylacetonitrile
Show more names
SY177693DB-354685NS00047088EN300-520102-(2-chloro-3,4-dimethoxy-phenyl)acetonitrileF88145F520120Z733970170
Database identifiers
- CAS
7537-07-7- PubChem CID
- 82037
- DTXSID
DTXSID10226335- EC Number
- 231-407-3
- Nikkaji
- J307.867A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 65 · 65-65.5 °C
- Boiling point
- 324.9 · 324.9±37.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- HS Code
- 2926907090 · 2926907090
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2926907090
Chemistry & industry
Suppliers15 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
苏州启航生物科技有限公司18151111370
河南东元化工科技有限公司16696119288 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
华阴市赛普生物科技有限公司13892502238 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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