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1-tert-butyl-2-isocyanatobenzene

1-tert-butyl-2-isocyanatobenzene structure

CAS No:
56309-60-5
Formula:
C11H13NO
Chemical Name:
1-tert-butyl-2-isocyanatobenzene
Synonyms:
2-tert-Butylphenyl isocyanate; tert-butylphenyl isocyanate; o-t-butylphenyl isocyanate; 2-(t-butyl)phenyl isocyanate; t-butylphenylisocyanate; 2-(tert-butyl)benzenisocyanate;Expand

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1-tert-butyl-2-isocyanatobenzene Basic Attributes

Molecular Weight：

175.22700

Exact Mass：

175.099714038

DSSTox ID：

DTXSID10370887

HScode：

2929109000

Characteristics

PSA：

29.43000

XLogP3：

2.95140

Density：

1.012 g/mL at 25ºC(lit.)

Boiling Point：

225ºC(lit.)

Flash Point：

199 °F

Refractive Index：

n20/D 1.525(lit.)

Safety Information

Transport codes：

UN 2206 6.1/PG 3

hazard class code：

R20/21/22; R36/37/38

safety instructions：

S23; S26; S36

Marks：

Xn; Xi

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, 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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:175.23
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:175.099714038
Monoisotopic Mass:175.099714038
Topological Polar Surface Area:29.4
Heavy Atom Count:13
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-tert-Butylphenyl isocyanate

CAS No.: 56309-60-5

Content: 99.00%

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Guide of 1-tert-butyl-2-isocyanatobenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties
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