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(-)-α-Methylbenzyl isocyanate

(-)-α-Methylbenzyl isocyanate structure

CAS No:
14649-03-7
Formula:
C9H9NO
Chemical Name:
(-)-α-Methylbenzyl isocyanate
Synonyms:
Benzene,[(1S)-1-isocyanatoethyl]-;Isocyanic acid,α-methylbenzyl ester,(-)-;Benzene,(1-isocyanatoethyl)-,(S)-;[(1S)-1-Isocyanatoethyl]benzene;(-)-α-Phenylethyl isocyanate;(-)-1-Phenylethyl isocyanate;(-)-1-Phenethyl isocyanate;(-)-(S)-α-Phenethyl isocyanate;(-)-α-Methylbenzyl isocyanate;S-(-)-α-Phenylethyl isocyanate;(S)-(-)-α-Methylbenzyl isocyanate;(-)-(S)-α-Methylbenzyl isocyanate;(S)-α-Methylbenzyl isocyanate;(S)-1-Phenylethyl isocyanate;(S)-1-Phenethyl isocyanate;(-)-(S)-α-Phenylethyl isocyanate;(S)-1-Phenyl-1-isocyanatoethane;[(S)-1-Isocyanatoethyl]benzene;(S)-(-)-Alpha-methylbenzyl isocyanate;[(1S)-1-Isocyanatoethyl]benzene
Categories:
Analytical Chemistry > Analysis Reagents

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Description

Colorless to light yellow liqui

(-)-α-Methylbenzyl isocyanate Basic Attributes

Molecular Weight：

147.17

Exact Mass：

147.17

BRN：

4230972

EC Number：

238-698-6

HScode：

29291090

Characteristics

PSA：

29.4

XLogP3：

2.95

Appearance：

Clear colorless to pale yellow Liquid

Density：

1.045 g/mL at 20 °C(lit.)

Melting Point：

65 °C

Boiling Point：

42 °C @ Press: 0.1 Torr

Flash Point：

150 °F

Refractive Index：

n 20/D 1.5145(lit.)

Water Solubility：

Decomposition

Storage Conditions：

2-8°C

Specific rotation：

-10 º (NEAT)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2206 6.1/PG 2

wgk germany：

hazard class code：

36/37/38-42-26-23

safety instructions：

23-26-36-45-24/25

Marks：

Xn,T+,T

Precautionary statement(s)：

P260-P284-P305 + P351 + P338-P310

Hazard Statements：

H315-H319-H330-H334-H335

GHS Classification：

|Danger|H302 (11.11%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P284, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P310, P311, P312, P320, P321, P330, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:147.17
XLogP3:2.9
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:155
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (-)-α-Methylbenzyl isocyanate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
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(-)-α-Methylbenzyl isocyanate

SDS

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