1,3-PHENYLENE DIISOCYANATE

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Names

[ CAS No. ]:
123-61-5

[ Name ]:
1,3-PHENYLENE DIISOCYANATE

[Synonym ]:
1,3-Phenylene Diisocyanate
EINECS 204-637-7
Benzene 1,3-Diisocyanate
MFCD00002018
1,3-diisocyanatobenzene

Chemical & Physical Properties

[ Density]:
1.17g/cm3

[ Boiling Point ]:
121 °C25 mm Hg(lit.)

[ Melting Point ]:
49-51 °C(lit.)

[ Molecular Formula ]:
C8H4N2O2

[ Molecular Weight ]:
160.13000

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
160.02700

[ PSA ]:
58.86000

[ LogP ]:
1.62120

[ Vapour Pressure ]:
0.0801mmHg at 25°C

[ Index of Refraction ]:
1.567

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NR0150000
CHEMICAL NAME :
Isocyanic acid, m-phenylene ester
CAS REGISTRY NUMBER :
123-61-5
BEILSTEIN REFERENCE NO. :
0776957
LAST UPDATED :
199710
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H4-N2-O2
MOLECULAR WEIGHT :
160.14
WISWESSER LINE NOTATION :
OCNR CNCO

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 :
5600 ug/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#07804

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H334-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P342 + P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S22-S26-S36/37

[ RIDADR ]:
UN 2810 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
NR0150000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2929109000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,3-Dinitrobenzene
  • carbon monoxide
  • dimethyl N,N'-(1,3-phenylene)dicarbamate
  • 1,3-Benzenedicarboxylic acid diazide
  • ethyl N-(3-ethoxycarbonylaminophenyl)carbamate
  • phosgene
  • m-Phenylenediamine
  • benzene

DownStream

  • Benzene,1,3-diisothiocyanato-
  • [3-(carbamoylamino)phenyl]urea
  • Benzene,1-chloro-2,4-diisocyanato-

Customs

[ HS Code ]: 2929109000

[ Summary ]:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • 4-chloro-1,3-phenylene diisocyanate
  • 4-chloro-1,3-phenylene diisocyanate
  • 4-methoxy-1,3-phenylene diisocyanate
  • 2-dodecyl-1,3-phenylene diisocyanate
  • 6-Dodecyl-1,3-phenylene diisocyanate
  • tetrafluoro-1,3-phenylene diisocyanate