1,3-phenylenediacetonitrile

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Names

[ CAS No. ]:
626-22-2

[ Name ]:
1,3-phenylenediacetonitrile

[Synonym ]:
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

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

MSDS

Click to get detail MSDS

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

[ 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • sodium cyanide
  • 1,3-Bis(bromomethyl)benzene
  • Sodium cyanide
  • POTASSIUM CYANIDE

DownStream

  • 2,6-dimethylbenzonitrile
  • 1,3-Bis(2-aminoethyl)benzol
  • 3-Methylphenethylamine
  • m-Xylene
  • m-Phenylenebis(acetic acid ethyl) ester
  • 1,2-Phenylenediacetic Acid
  • 2-[3-(2-ethoxy-2-oxoethyl)phenyl]acetate
  • 1-[3-(2-oxopropyl)phenyl]propan-2-one

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%

Related Compounds

  • 1,3-dimethyl-2H-pyrazolo[3,4-c]pyrazole
  • 1-(3-Methoxyphenyl)-1H-pyrazole-4-carboxylicacid
  • 1,3,2-Benzoxazaborole,2,3-dihydro-2-phenyl-
  • 1,3-BENZENEDIOL, 4-BROMO-6-NITRO-
  • 1,3,4-Oxadiazole, 2-methyl-5-phenyl-
  • 1,3-Dichloro-2-propanol-d5