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3,5-Dimethylphenyl isocyanate

3,5-Dimethylphenyl isocyanate structure

CAS No:
54132-75-1
Formula:
C9H9NO
Chemical Name:
3,5-Dimethylphenyl isocyanate
Synonyms:
Benzene,1-isocyanato-3,5-dimethyl-;1-Isocyanato-3,5-dimethylbenzene;3,5-Dimethylphenyl isocyanate;3,5-Xylylisocyanate;3,5-Dimethyl-1-isocyanatobenzene
Categories:
Chemical Reagents > Organic Reagents

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Description

Clear light yellow liquid

3,5-Dimethylphenyl isocyanate Basic Attributes

Molecular Weight：

147.17

Exact Mass：

147.17

BRN：

774958

EC Number：

258-987-0

DSSTox ID：

DTXSID30202474

HScode：

2929109000

Characteristics

PSA：

29.4

XLogP3：

2.27070

Density：

1.045 g/mL at 25 °C(lit.)

Boiling Point：

75 °C (5 mmHg)

Flash Point：

183 °F

Refractive Index：

n20/D 1.528(lit.)

Water Solubility：

Hydrolyzes in water.

Storage Conditions：

0-6°C

Vapor Pressure：

0.2 psi ( 20 °C)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2206 6.1/PG 3

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

23-26-27-28-37/39

Marks：

Hazard note：

Harmful

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Danger|H301 (10.64%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:147.17
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:147.068413911
Monoisotopic Mass:147.068413911
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,5-DIMETHYLPHENYL ISOCYANATE

CAS No.: 54132-75-1

Content: 99.00%

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Guide of 3,5-Dimethylphenyl isocyanate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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3,5-Dimethylphenyl isocyanate

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