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1,1-Dimethylethyl N-(6-chloro-3-pyridinyl)carbamate

1,1-Dimethylethyl N-(6-chloro-3-pyridinyl)carbamate structure

CAS No:
171178-45-3
Formula:
C10H13ClN2O2
Chemical Name:
1,1-Dimethylethyl N-(6-chloro-3-pyridinyl)carbamate
Synonyms:
Carbamic acid,N-(6-chloro-3-pyridinyl)-,1,1-dimethylethyl ester;Carbamic acid,(6-chloro-3-pyridinyl)-,1,1-dimethylethyl ester;1,1-Dimethylethyl N-(6-chloro-3-pyridinyl)carbamate;5-tert-Butoxycarbonylamino-2-chloropyridine;(6-Chloropyridin-3-yl)carbamic acid tert-butyl ester;5-[N-(tert-Butoxycarbonyl)amino]-2-chloropyridine;tert-Butyl N-(2-chloropyridin-5-yl)carbamate;(6-Chloropyridin-3-yl)carbamic acid tert-butyl ester;tert-Butyl (6-chloropyridin-3-yl)carbamate

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1,1-Dimethylethyl N-(6-chloro-3-pyridinyl)carbamate Basic Attributes

Molecular Weight：

228.68

Exact Mass：

228.68

DSSTox ID：

DTXSID60428544

HScode：

2933399090

Characteristics

PSA：

51.22000

XLogP3：

3.15500

Density：

1.245±0.06 g/cm3

Melting Point：

127-129°C

Boiling Point：

283.7±25.0 °C(Predicted)

Flash Point：

125.4ºC

Refractive Index：

1.557

Vapor Pressure：

0.00311mmHg at 25°C

PKA：

12.06±0.70

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Warning|H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:228.67
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:228.0665554
Monoisotopic Mass:228.0665554
Topological Polar Surface Area:51.2
Heavy Atom Count:15
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1-Dimethylethyl N-(6-chloro-3-pyridinyl)carbamate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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