Basic information
- CAS
262298-02-2- Standard SMILES
COc1ccc(CC#N)c(C)c1- InChIKey
IXOPCMZOHYZDMX-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 2-(4-Methoxy-2-methylphenyl)acetonitrile
- IUPAC
- 2-(4-methoxy-2-methylphenyl)acetonitrile
- English name
- 4-Methoxy-2-methylphenylacetonitrile
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
2-(4-methoxy-2-methylphenyl)acetonitrileRefChem:457882607-891-04-Methoxy-2-methylphenylacetonitrile262298-02-2Benzeneacetonitrile, 4-methoxy-2-methyl-MFCD021783882-METHYL-4-METHOXYPHENYLACETONITRILESCHEMBL1237862DTXSID603966132-(4-methoxy-2-methyl-phenyl)acetonitrile4-Methoxy-2-methylbenzyl cyanide
Show more names
4-methoxy-2-methylphenylaccetonitrile4-Methoxy-2-Methyl-Benzeneacetonitrile
IXOPCMZOHYZIXOPCMZOHYZDMX-UHFFFAOYSA-NCL8765AKOS006280230(4-methoxy-2-methylphenyl)acetonitrileSY106580TS-02149DB-006856
Database identifiers
- CAS
262298-02-2- PubChem CID
- 3801024
- DTXSID
DTXSID60396613- EC Number
- 607-891-0
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 291.4 · 291.4±25.0 °C(Predicted)
- Density
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- 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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；Acute Tox. 3 (50%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
Chemistry & industry
Suppliers49 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海伟聂化工科技有限公司13046668259 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [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]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
湖南汇百侍生物科技有限公司
Related reactions
7 records
Compound notes
Loading…