1,4-bis(2-isocyanatopropan-2-yl)benzene

Modify Date: 2025-08-21 09:32:58

1,4-bis(2-isocyanatopropan-2-yl)benzene Structure
1,4-bis(2-isocyanatopropan-2-yl)benzene structure
Common Name 1,4-bis(2-isocyanatopropan-2-yl)benzene
CAS Number 2778-41-8 Molecular Weight 244.28900
Density 1.01g/cm3 Boiling Point 330.5ºC at 760mmHg
Molecular Formula C14H16N2O2 Melting Point N/A
MSDS N/A Flash Point 135.5ºC

 Names

Name 1,4-bis(2-isocyanatopropan-2-yl)benzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.01g/cm3
Boiling Point 330.5ºC at 760mmHg
Molecular Formula C14H16N2O2
Molecular Weight 244.28900
Flash Point 135.5ºC
Exact Mass 244.12100
PSA 58.86000
LogP 2.82840
Vapour Pressure 0.000165mmHg at 25°C
Index of Refraction 1.515
InChIKey AGJCSCSSMFRMFQ-UHFFFAOYSA-N
SMILES CC(C)(N=C=O)c1ccc(C(C)(C)N=C=O)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY8490000
CHEMICAL NAME :
Benzene, 1,4-bis(1-isocyanato-1-methylethyl)-
CAS REGISTRY NUMBER :
2778-41-8
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C14-H16-N2-O2
MOLECULAR WEIGHT :
244.32

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,160,1992 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Kidney, Ureter, Bladder - incontinence
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,160,1992
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
220 mg/m3/4H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,160,1992
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,160,1992

 Safety Information

HS Code 2929109000

 Customs

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

 Synonyms

EINECS 220-473-9
p-Tetramethylxylylene diisocyanate
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