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Merck
CN

439959

Sigma-Aldrich

4-Isopropylphenyl isocyanate

98%

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About This Item

Linear Formula:
(CH3)2CHC6H4NCO
CAS Number:
31027-31-3
Molecular Weight:
161.20
EC Number:
250-439-9
MDL number:
MFCD00013880
UNSPSC Code:
12352100
PubChem Substance ID:
24867552

Key Documents

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Assay

98%

refractive index

n20/D 1.52 (lit.)

bp

85 °C/4 mmHg (lit.)

density

1.01 g/mL at 25 °C (lit.)

SMILES string

CC(C)c1ccc(cc1)N=C=O

InChI

1S/C10H11NO/c1-8(2)9-3-5-10(6-4-9)11-7-12/h3-6,8H,1-2H3

InChI key

PJVRNNRZWASOIT-UHFFFAOYSA-N

Signal Word

Danger

Hazard Statements

H314,H317,H330,H335,H410

Hazard Classifications

Acute Tox. 1 Inhalation - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1C - Skin Sens. 1A - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 1

Flash Point(F)

195.8 °F - closed cup

Flash Point(C)

91 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
63896JK
42196TJ
12903PD
18831JI
13522BO

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