1,3-phenylenediacetonitrile

Modify Date: 2024-01-06 11:23:28

1,3-phenylenediacetonitrile Structure
1,3-phenylenediacetonitrile structure
 Common Name 1,3-phenylenediacetonitrile
CAS Number 626-22-2 Molecular Weight 156.184
Density 1.1±0.1 g/cm3 Boiling Point 286.2±0.0 °C at 760 mmHg
Molecular Formula C10H8N2 Melting Point 32-35 °C(lit.)
MSDS Chinese USA Flash Point 162.2±16.2 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

Name 1,3-Phenylenediacetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 286.2±0.0 °C at 760 mmHg
Melting Point 32-35 °C(lit.)
Molecular Formula C10H8N2
Molecular Weight 156.184
Flash Point 162.2±16.2 °C
Exact Mass 156.068741
PSA 47.58000
LogP 0.68
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.550
Water Solubility insoluble

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM1780000
CHEMICAL NAME :
Acetonitrile, m-phenylenedi-
CAS REGISTRY NUMBER :
626-22-2
BEILSTEIN REFERENCE NO. :
3240670
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H8-N2
MOLECULAR WEIGHT :
156.20
WISWESSER LINE NOTATION :
NC1R C1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00743

 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
Safety Phrases S26-S37/39-S24/25
RIDADR 3439
WGK Germany 3
RTECS AM1780000
Packaging Group III
Hazard Class 6.1
HS Code 29269095

 Synthetic Route

sodium cyanide structure

sodium cyanide

CAS#:773837-37-9

1,3-Bis(bromomethyl)benzene structure

1,3-Bis(bromome...

CAS#:626-15-3

~%

1,3-phenylenediacetonitrile Structure

1,3-phenylenedi...

CAS#:626-22-2

Literature: WO2011/41349 A1, ; Page/Page column 20 ;
Sodium cyanide structure

Sodium cyanide

CAS#:143-33-9

1,3-Bis(bromomethyl)benzene structure

1,3-Bis(bromome...

CAS#:626-15-3

~%

1,3-phenylenediacetonitrile Structure

1,3-phenylenedi...

CAS#:626-22-2

Literature: European Journal of Medicinal Chemistry, , vol. 43, # 12 p. 2768 - 2777
POTASSIUM CYANIDE structure

POTASSIUM CYANIDE

CAS#:151-50-8

1,3-Bis(bromomethyl)benzene structure

1,3-Bis(bromome...

CAS#:626-15-3

~%

1,3-phenylenediacetonitrile Structure

1,3-phenylenedi...

CAS#:626-22-2

Literature: Journal of the Chemical Society, , p. 519 Chemische Berichte, , vol. 53, p. 102

 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%

 Synonyms

1,3-Benzenediacetonitrile (9CI)
EINECS 210-936-3
MFCD00001915
1,3-phenylenediacetonitrile
1,3-Benzenediacetonitrile
2,2'-(1,3-Phenylene)diacetonitrile
2-[3-(cyanomethyl)phenyl]acetonitrile
2,2'-Benzol-1,3-diyldiacetonitril
2,2'-Benzene-1,3-diyldiacetonitrile
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