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1-Ethyl-4-isocyanatobenzene

1-Ethyl-4-isocyanatobenzene structure

CAS No:
23138-50-3
Formula:
C9H9NO
Chemical Name:
1-Ethyl-4-isocyanatobenzene
Synonyms:
Benzene,1-ethyl-4-isocyanato-;Isocyanic acid,p-ethylphenyl ester;1-Ethyl-4-isocyanatobenzene;p-Ethylphenyl isocyanate;4-Ethylphenyl isocyanate
Categories:
Chemical Reagents > Organic Reagents

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1-Ethyl-4-isocyanatobenzene Basic Attributes

Molecular Weight：

147.17

Exact Mass：

147.17

BRN：

971100

EC Number：

245-446-9

UNII：

G7N9K55SX2

DSSTox ID：

DTXSID60177702

HScode：

2929109000

Characteristics

PSA：

29.4

XLogP3：

2.21630

Density：

1.024 g/mL at 25 °C(lit.)

Boiling Point：

101-102 °C @ Press: 27 Torr

Flash Point：

190 °F

Refractive Index：

n20/D 1.527(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：

Xn,Xi

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Danger|H301 (11.36%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 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:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-ethyl-4-isocyanatobenzene

CAS No.: 23138-50-3

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Guide of 1-Ethyl-4-isocyanatobenzene

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