2,6-di-iso-propylphenyl isocyanate

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Names

[ CAS No. ]:
28178-42-9

[ Name ]:
2,6-di-iso-propylphenyl isocyanate

[Synonym ]:
Benzene,2-isocyanato-1,3-bis(1-methylethyl)
2,5-DIHYDRO-5-OXO-1-PHENYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID PHENYLAMIDE
Isocyanic Acid 2,6-Diisopropylphenyl Ester
2-isocyanato-1,3-di(propan-2-yl)benzene
2,6-(i-Pr)2PhNCO
2,6-di-iso-propylphenyl isocyanate
Benzene, 2-isocyanato-1,3-bis(1-methylethyl)-
o,o'-Diisopropylphenyl isocyanate
2-Isocyanato-1,3-diisopropylbenzene
2,6-Diisopropylphenyl Isocyanate
EINECS 248-885-4
2,6-Bis(1-methylethyl)phenyl isocyanate
MFCD00008882

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
247.2±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C13H17NO

[ Molecular Weight ]:
203.280

[ Flash Point ]:
107.2±0.0 °C

[ Exact Mass ]:
203.131012

[ PSA ]:
29.43000

[ LogP ]:
5.26

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.507

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY8545000
CHEMICAL NAME :
Benzene, 1,3-bis(1-methylethyl)-2-isocyanato-
CAS REGISTRY NUMBER :
28178-42-9
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C13-H17-N-O
MOLECULAR WEIGHT :
203.31

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528440 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1414 mg/kg
TOXIC EFFECTS :
Gastrointestinal - changes in structure or function of salivary glands Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530415
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
47 mg/m3/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0191-1160
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1260 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Gastrointestinal - changes in structure or function of salivary glands Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528440

Safety Information

[ Symbol ]:

GHS05, GHS06, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H315-H317-H318-H330-H334-H335

[ Precautionary Statements ]:
P260-P280-P284-P305 + P351 + P338-P310

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

[ Hazard Codes ]:
T+:Verytoxic;

[ Risk Phrases ]:
R21/22;R26;R36/37/38

[ Safety Phrases ]:
S23-S26-S36/37/39-S45-S28A

[ RIDADR ]:
UN 3382 6.1/PG 1

[ WGK Germany ]:
2

[ RTECS ]:
CY8545000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2929109000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Carbon dioxide
  • 2,6-Diisopropylaniline
  • N-CYCLOHEXYL-OXALAMIC ACID
  • Di-tert-butyl dicarbonate
  • bis[(2-methylpropan-2-yl)oxycarbonyl] carbonate
  • carbon monoxide
  • Methyl-N-(2,6-diisopropylphenyl)-oxamat
  • phosgene
  • Bis(2,6-diisopropylphenyl)carbodiimide

DownStream

  • 2-Chloro-N-(2,6-diisopropyl-phenyl)-acetamide
  • Bis(2,6-diisopropylphenyl)carbodiimide

Customs

[ HS Code ]: 2929109000

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

Articles

Multiple bonds between transition metals and main-group elements. 72. Organorhenium imido complexes: syntheses, structure, and reactivity. Herrmann WA, et al.

Organometallics 9(2) , 489-96, (1990)

Reactions of unsaturated electrophiles with trans-(PMe3)2 Pd (Ph)(NHPh). Boncella JM and Villanueva LA.

J. Organomet. Chem. 465(1) , 297-304, (1994)

A new protocol for rotaxane synthesis. Cantrill SJ, et al.

Tetrahedron Lett. 40(19) , 3669-72, (1999)


More Articles

Related Compounds

  • 2,6-Di-iso-propylnaphthalene
  • 4,6-di-tert-butyl-N-(2,6-di-iso-propyl-phenyl)-o-iminobenzoquinone
  • 3-hydroxy-2,6-di-propylphenyl acetate
  • 3-(tert-butyldimethylsilyloxy)-2,6-di-propylphenyl acetate
  • 4,4-DIAMINOBENZENESULPHANILIDE
  • 2,6-diisopropylphenyl dihydrogen phosphate