2,6-di-iso-propylphenyl isocyanate

Names

[ 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

DownStream

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)

Related Compounds

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.