3,4-Dichlorophenylacetonitrile

Modify Date: 2025-08-21 09:58:16

3,4-Dichlorophenylacetonitrile Structure
3,4-Dichlorophenylacetonitrile structure
Common Name 3,4-Dichlorophenylacetonitrile
CAS Number 3218-49-3 Molecular Weight 186.038
Density 1.3±0.1 g/cm3 Boiling Point 308.6±0.0 °C at 760 mmHg
Molecular Formula C8H5Cl2N Melting Point 39-42 °C(lit.)
MSDS Chinese USA Flash Point 125.9±17.4 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 2-(3,4-dichlorophenyl)acetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 308.6±0.0 °C at 760 mmHg
Melting Point 39-42 °C(lit.)
Molecular Formula C8H5Cl2N
Molecular Weight 186.038
Flash Point 125.9±17.4 °C
Exact Mass 184.979904
PSA 23.79000
LogP 2.51
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.566
InChIKey QWZNCAFWRZZJMA-UHFFFAOYSA-N
SMILES N#CCc1ccc(Cl)c(Cl)c1

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302 + H312 + H332-H315-H319-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S37/39-S36/37/39
RIDADR 3276
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 29269095

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles3

More Articles
Pharmacological profile and chemical synthesis of SR 48968, a non-peptide antagonist of the neurokinin A (NK2) receptor. Emonds-Alt X, et al.

Bioorg. Med. Chem. Lett. 3(5) , 925-30, (1993)

A practical and scalable synthesis of SR 142801, a tachykinin NK3 antagonist. Chen HG, et al.

Bioorg. Med. Chem. Lett. 7(5) , 555-60, (1997)

Identification and chemical synthesis of MDL 105,212, a non-peptide tachykinin antagonist with high affinity for NK1and NK2 receptors. Burkholder TP, et al.

Bioorg. Med. Chem. Lett. 6(8) , 951-56, (1996)

 Synonyms

3,4-dichlorobenzeneacetonitrile
2-(3,4-dichlorophenyl)acetonitrile
m,p-dichlorophenylacetonitrile
Benzeneacetonitrile, 3,4-dichloro-
3,4-Dichlorobenzyl cyanide
EINECS 221-743-9
(3,4-Dichlorophenyl)acetonitrile
3,4-Dichlorophenylacetonitrile
MFCD00001909
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