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Basic information

  • Name:
  • Benzene,2-isocyanato-1,3-bis(1-methylethyl)-

  • Superlist Name:
  • 2,6-Diisopropylphenyl isocyanate
  • CAS No.:
  • 28178-42-9

  • Molecular Structure:
  • Formula:
  • C13H17NO
  • Molecular Weight:
  • 203.31
  • Deleted CAS:
  • 37780-62-4
  • Synonyms:
  • Isocyanicacid, 2,6-diisopropylphenyl ester (7CI,8CI);2,6-Bis(1-methylethyl)phenylisocyanate;2-Isocyanato-1,3-diisopropylbenzene;o,o'-Diisopropylphenyl isocyanate;
  • EINECS:
  • 248-885-4
  • Density:
  • 0.95 g/cm3
  • Boiling Point:
  • 247.2 °C at 760 mmHg
  • Flash Point:
  • 107.2 °C
  • Appearance:
  • clear colorless to slightly yellow liquid
  • Hazard Symbols:
  • VeryT+
  • Risk Codes:
  • 26-36/37/38-42-21/22
  • Safety Description:
  • 23-26-36/37/39-45-28A Details
  • Transport Information:
  • UN 3382 6.1/PG 1

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Chemistry

The Molecular formula of 2,6-DIISOPROPYLPHENYL ISOCYANATE(28178-42-9): C13H17NO
The Molecular Weight of 2,6-DIISOPROPYLPHENYL ISOCYANATE(28178-42-9): 203.28
The Molecular Structure of 2,6-DIISOPROPYLPHENYL ISOCYANATE(28178-42-9):
EINECS: 248-885-4 
Boiling Point: 247.2 °C at 760 mmHg
Flash Point: 107.2 °C  
Index of Refraction: 1.507 
Molar Refractivity: 63.07 cm
Molar Volume: 211.8 cm
Polarizability: 25 10-24 cm3 
Surface Tension: 30.2 dyne/cm 
Density: 0.95 g/cm3 
Enthalpy of Vaporization: 48.43 kJ/mol 
Vapour Pressure: 0.0261 mmHg at 25°
Sensitive: Moisture Sensitive
BRN: 2645721
IUPAC Name: 2-isocyanato-1,3-di(propan-2-yl)benzene 
Synonyms: 1,3-bis(1-methylethyl)-2-isocyanato-benzen;2-isocyanato-1,3-bis(1-methylethyl)-benzen;isocyanicacid,2,6-diisopropylphenylester;Benzene, 2-isocyanato-1,3-bis(1-methylethyl)-;Diisopropyl phenyl isocyanate;2,6-DIISOPROPYLPHENYL ISOCYANATE;2-isocyanato-1,3-bis(1-methylethyl)-Benzene;1,3-bis(1-methylethyl)-2-isocyanatobenzene;

Uses

2,6-DIISOPROPYLPHENYL ISOCYANATE(28178-42-9) is used for the synthesis of medicine, pesticide and polymer materials.

Toxicity Data With Reference

1.mouse LC50 inhalation 74mg/m3/2H (74mg/m3)
  Effect: SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
          BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
          LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
  Source: Toksikologicheskii Vestnik. Vol. (2), Pg. 28, 2000.
2.mouse LD50 oral 3gm/kg (3000mg/kg)
  Effect: BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
          LUNGS, THORAX, OR RESPIRATION: DYSPNEA
  Source: Toksikologicheskii Vestnik. Vol. (2), Pg. 28, 2000.
3.rabbit LDLo skin 1260mg/kg (1260mg/kg)
  Effect: BEHAVIORAL: TREMOR
          LUNGS, THORAX, OR RESPIRATION: DYSPNEA
          GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
  Source: National Technical Information Service. Vol. OTS0528440, 
4.rat LC50 inhalation 47mg/m3/4H (47mg/m3)  
  Source: United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0191-1160, 
5.rat LD50 oral 1414mg/kg (1414mg/kg)
  Effect: GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
          LUNGS, THORAX, OR RESPIRATION: CYANOSIS
          LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
  Source: National Technical Information Service. Vol. OTS0530415,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A poison by inhalation. When heated to decomposition it emits toxic vapors of NOx.
The Hazard Codes of 2,6-DIISOPROPYLPHENYL ISOCYANATE(28178-42-9):   T+
HazardClass: 6.1
The Risk Statements information of 2,6-DIISOPROPYLPHENYL ISOCYANATE(28178-42-9):
26:  Very Toxic by inhalation 
42:  May cause sensitization by inhalation 
21/22:  Harmful in contact with skin and if swallowed 
36/37/38:  Irritating to eyes, respiratory system and skin 
The Safety Statements information of 2,6-DIISOPROPYLPHENYL ISOCYANATE(28178-42-9):
23:  Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) 
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 
36/37/39:  Wear suitable protective clothing, gloves and eye/face protection 
RIDADR: UN 3382 6.1/PG 1
WGK Germany: 2
RTECS: CY8545000
F: 19-21
PackingGroup: II
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