2-Chloro-3,4-dimethoxybenzonitrile
Basic information
- CAS
119413-61-5- Standard SMILES
COc1ccc(C#N)c(Cl)c1OC- InChIKey
DVVLTABTKVOGCS-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO2
- Average molar mass
- 197.62 g/mol
- Monoisotopic mass
- 197.0243562
Names & identifiers
- Preferred name
- 2-Chloro-3,4-dimethoxybenzonitrile
- IUPAC
- 2-chloro-3,4-dimethoxybenzonitrile
- English name
- 2-CHLORO-3,4-DIMETHOXYBENZONITRILE
- Molecular formula
- C9H8ClNO2
- Molecular weight
- 197.62
Names & synonyms
2-chloro-3,4-dimethoxybenzonitrile119413-61-5DTXSID20379407RefChem:258424DTXCID803304332-Chloro-3,4-dimethoxybenzenecarbonitrileMFCD00173893Benzonitrile, 2-chloro-3,4-dimethoxy-JS-159C2-chloro-3,4-dimethoxy-benzonitrileSBB092213AKOS005072987
Show more names
2-chloroveratronitrile
CS-0215500ST50407138EN300-254552Z1142739380
Database identifiers
- CAS
119413-61-5- PubChem CID
- 2775136
- DTXSID
DTXSID20379407- EC Number
- 678-657-3
- Nikkaji
- J1.527.442E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 101 °C · 101 °C
- CAS DataBase Reference
- 119413 · 119413-61-5(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3276 · 3276
- Hazard Note
- Harmful
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
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)
Aggregated GHS information provided per 5 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
- ridadr
- 3276
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS06
- hazard_note
- Harmful
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Suppliers
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Related reactions
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Compound notes
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