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3-Ethylphenyl isocyanate

3-Ethylphenyl isocyanate structure

CAS No:
23138-58-1
Formula:
C9H9NO
Chemical Name:
3-Ethylphenyl isocyanate
Synonyms:
Benzene,1-ethyl-3-isocyanato-;Isocyanic acid,m-ethylphenyl ester;1-Ethyl-3-isocyanatobenzene;3-Ethylphenyl isocyanate;m-Ethylphenyl isocyanate;3-Ethyl-1-isocyanatobenzene
Categories:
Chemical Reagents > Organic Reagents

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3-Ethylphenyl isocyanate Basic Attributes

Molecular Weight：

147.17

Exact Mass：

147.17

BRN：

386718

DSSTox ID：

DTXSID50377810

HScode：

2929109000

Characteristics

PSA：

29.4

XLogP3：

2.21630

Density：

1.033 g/mL at 25 °C(lit.)

Boiling Point：

88 °C @ Press: 33 Torr

Flash Point：

185 °F

Refractive Index：

n20/D 1.526(lit.)

Vapor Pressure：

0.15mmHg at 25°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：

26-36

Marks：

Xn,Xi

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
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:147.068413911
Monoisotopic Mass:147.068413911
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-ethyl-3-isocyanatobenzene

CAS No.: 23138-58-1

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