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2-ETHYLPHENYLISOCYANATE

2-ETHYLPHENYLISOCYANATE structure

CAS No:
40411-25-4
Formula:
C9H9NO
Chemical Name:
2-ETHYLPHENYLISOCYANATE
Synonyms:
2-ETHYLPHENYLISOCYANATE;o-Ethylphenylisocyanate;2-Ethylphenylisocyanate,99%;2-ETHYLPHENYLISOCYANATE99%;1-Ethyl-2-isocyanato-benzene;1-ethyl-2-isocyanatobenzene(SALTDATA:FREE)
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless liquid

2-ETHYLPHENYLISOCYANATE Basic Attributes

Molecular Weight：

147.17

Exact Mass：

147.06800

BRN：

3538910

EC Number：

-0

DSSTox ID：

DTXSID10342640

HScode：

2929109000

Characteristics

PSA：

29.4

XLogP3：

2.21630

Appearance：

clear colorless liquid

Density：

1.04

Boiling Point：

56°C3mm

Flash Point：

78 °C

Refractive Index：

1.5278-1.5298

Flammability characteristics：

Open flame is flammable; the fire emits spicy and irritating smoke

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

2206

hazard class code：

36/37/38-20/21/22

safety instructions：

36/37/39-26-37/39-28-23

Marks：

Xn,Xi

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from water-containing items, alcohols and amines

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 (90.48%): 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 42 companies from 2 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: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