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1,1-Dimethylethyl N-[(2-bromophenyl)methyl]carbamate

1,1-Dimethylethyl N-[(2-bromophenyl)methyl]carbamate structure

CAS No:
162356-90-3
Formula:
C12H16BrNO2
Chemical Name:
1,1-Dimethylethyl N-[(2-bromophenyl)methyl]carbamate
Synonyms:
Carbamic acid,N-[(2-bromophenyl)methyl]-,1,1-dimethylethyl ester;Carbamic acid,[(2-bromophenyl)methyl]-,1,1-dimethylethyl ester;1,1-Dimethylethyl N-[(2-bromophenyl)methyl]carbamate;N-(tert-Butoxycarbonyl)-2-bromobenzylamine;tert-Butyl N-(2-bromobenzyl)carbamate;tert-Butyl (2-bromobenzyl)carbamate;1-(tert-Butoxycarbonylaminomethyl)-2-bromobenzene;2-(tert-Butoxycarbonylaminomethyl)bromobenzene

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1,1-Dimethylethyl N-[(2-bromophenyl)methyl]carbamate Basic Attributes

Molecular Weight：

286.16

Exact Mass：

286.16

DSSTox ID：

DTXSID40426987

HScode：

2924299090

Characteristics

PSA：

38.33000

XLogP3：

3.86470

Density：

1.319±0.06 g/cm3

Melting Point：

51-53 °C

Boiling Point：

370.3±25.0 °C(Predicted)

Flash Point：

>230

Refractive Index：

1.533

Vapor Pressure：

1.12E-05mmHg at 25°C

PKA：

11.87±0.46

Safety Information

Hazard category：

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

22-36/38-50/53-36/37/38

safety instructions：

26-37/39-60-61-36/37/39-22

Marks：

Xn,N

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:286.16
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:285.03644
Monoisotopic Mass:285.03644
Topological Polar Surface Area:38.3
Heavy Atom Count:16
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1-Dimethylethyl N-[(2-bromophenyl)methyl]carbamate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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