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2,3-Dimethylphenyl isocyanate

2,3-Dimethylphenyl isocyanate structure

CAS No:
1591-99-7
Formula:
C9H9NO
Chemical Name:
2,3-Dimethylphenyl isocyanate
Synonyms:
Benzene,1-isocyanato-2,3-dimethyl-;Isocyanic acid,2,3-xylyl ester;1-Isocyanato-2,3-dimethylbenzene;2,3-Dimethylphenyl isocyanate
Categories:
Chemical Reagents > Organic Reagents

Description

2,3-dimethylphenyl isocyanate is an isocyanate that consists of phenyl isocyanate bearing two additional methyl substituents at positions 2 and 3. It has a role as a hapten.

2,3-Dimethylphenyl isocyanate Basic Attributes

Molecular Weight：

147.17

Exact Mass：

147.17

BRN：

6313438

DSSTox ID：

DTXSID50166584

HScode：

2929109000

Characteristics

PSA：

29.4

XLogP3：

2.27070

Density：

1.059 g/mL at 25 °C(lit.)

Boiling Point：

88-90 °C @ Press: 9.5 Torr

Flash Point：

199 °F

Refractive Index：

n20/D 1.54(lit.)

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：

26-36

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, 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 43 companies from 3 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:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-isocyanato-2,3-dimethylbenzene

CAS No.: 1591-99-7

Content: 99.00%

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Guide of 2,3-Dimethylphenyl isocyanate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
Latest News
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2,3-Dimethylphenyl isocyanate

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