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butyl 4-isocyanatobenzoate

butyl 4-isocyanatobenzoate structure

CAS No:
102561-47-7
Formula:
C12H13NO3
Chemical Name:
butyl 4-isocyanatobenzoate
Synonyms:
4-(n-Butoxycarbonyl)Phenyl Isocyanate; butyl 4-isocyanato-benzoate; 4-carbobutoxyphenyl isocyanate; 4-butoxycarbonylphenyl isocyanate;

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butyl 4-isocyanatobenzoate Basic Attributes

Molecular Weight：

219.23700

Exact Mass：

219.08954328

DSSTox ID：

DTXSID40399440

HScode：

2929109000

Characteristics

PSA：

55.73000

XLogP3：

2.61080

Density：

1.105

Boiling Point：

312.6ºC at 760mmHg

Flash Point：

133ºC

Refractive Index：

n20/D 1.526(lit.)

Vapor Pressure：

0.000524mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2206 6.1/PG 3

hazard class code：

R20/22; R36/37/38; R42

safety instructions：

S23-S26-S36/37/39-S45

Marks：

GHS Classification：

|Warning|H302 (100%): 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:219.24
XLogP3:4.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:219.08954328
Monoisotopic Mass:219.08954328
Topological Polar Surface Area:55.7
Heavy Atom Count:16
Complexity:263
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of butyl 4-isocyanatobenzoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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