CAS 4107-65-7 2,4-Dimethoxybenzonitrile (HCID 77750)

Names & identifiers

Preferred name: 2,4-Dimethoxybenzonitrile
IUPAC: 2,4-dimethoxybenzonitrile
English name: 2,4-Dimethoxybenzonitrile
Molecular formula: C9H9NO2
Molecular weight: 163.17

Names & synonyms

2,4-Dimethoxybenzonitrile4107-65-7EINECS 223-886-2DTXSID00194034NSC 27020RefChem:443697DTXCID10116525223-886-2Benzonitrile, 2,4-dimethoxy-MFCD000017862,4-dimethoxy-benzonitrileUNII-WVW39ZC2HT

Show more names

2,4-Dimethoxybenzoni2,4 methoxybenzonitrile2,4 Dimethoxybenxonitrile2,4-Dimethoxybenzonitrile,99%

4-Cyano-3-methoxyanisoleWVW39ZC2HT1-Cyano-2,4-dimethoxybenzeneSCHEMBL16089002,4-dimethoxybenzenecarbonitrile2,4-Dimethoxybenzonitrile, 99%CK2128NSC-27020

Database identifiers

CAS: 4107-65-7
PubChem CID: 77750
DTXSID: DTXSID00194034
UNII: WVW39ZC2HT
EC Number: 223-886-2
Nikkaji: J126.358G

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 42.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 93 · 93-94 °C (lit.)
Boiling point: 290.25 °C · 290.25°C (rough estimate)
Density: 1.2021 · 1.2021 (rough estimate)
refractive index: 1.53 · 1.5300 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Powder
color: White to slightly yellow
BRN: 1950512 · 1950512
InChI: InChI=1S/C9H9NO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,1-2H3
InChIKey: RYRZSQQELLQCMZ-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(OC)C=C1OC
CAS DataBase Reference: 4107 · 4107-65-7(CAS DataBase Reference)
FDA UNII: 39 ZC2HT · WVW39ZC2HT
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36-36/37
RIDADR: 3276 · 3276
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29269095 · 29269095
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 45 reports by companies from 5 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. 4 (97.8%)；Acute Tox. 4 (97.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.8%)；STOT SE 3 (97.8%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: 3276
hs_code: 29269095
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 26-36-36/37
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338