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4-N-BUTYLPHENYL ISOCYANATE

4-N-BUTYLPHENYL ISOCYANATE structure

CAS No:
69342-47-8
Formula:
C11H13NO
Chemical Name:
4-N-BUTYLPHENYL ISOCYANATE
Synonyms:
4-BUTYLPHENYL ISOCYANATE;P-BUTYLPHENYL ISOCYANATE;Benzene, 1-butyl-4-isocyanato- (9CI);1-Butyl-4-isocyanatobenzene;Isocyanic Acid 4-Butylphenyl Ester;483400_ALDRICH;ZINC02170350;4-N-BUTYLPHENYL ISOCYANATE
Categories:
Chemical Reagents > Organic Reagents

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4-N-BUTYLPHENYL ISOCYANATE Basic Attributes

Molecular Weight：

175.23

Exact Mass：

175.10000

BRN：

390859

DSSTox ID：

DTXSID10383831

HScode：

2929109000

Characteristics

PSA：

29.4

XLogP3：

2.99650

Density：

0.992 g/mL at 25 °C(lit.)

Boiling Point：

108 °C3 mm Hg(lit.)

Flash Point：

227 °F

Refractive Index：

n20/D 1.517(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：

23-26-36

Marks：

Xn,Xi

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Danger|H302 (97.73%): 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 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:175.23
XLogP3:4.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:175.099714038
Monoisotopic Mass:175.099714038
Topological Polar Surface Area:29.4
Heavy Atom Count:13
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-N-BUTYLPHENYL ISOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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4-N-BUTYLPHENYL ISOCYANATE

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