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4-(BOC-AMINOMETHYL)PHENYL ISOTHIOCYANATE

4-(BOC-AMINOMETHYL)PHENYL ISOTHIOCYANATE structure

CAS No:
89631-74-3
Formula:
C13H16N2O2S
Chemical Name:
4-(BOC-AMINOMETHYL)PHENYL ISOTHIOCYANATE
Synonyms:
TERT-BUTYL N-(4-ISOTHIOCYANATOPHENYLMETHYL)CARBAMATE;N-BOC-4-ISOTHIOCYANATOBENZYLAMINE;BAMPITC;4-(N-TERT-BUTOXYCARBONYLAMINOMETHYL)PHENYL ISOTHIOCYANATE;4-(BOC-AMINOMETHYL)PHENYL ISOTHIOCYANATE;4-(N-T-BOC-AMINOMETHYL)PHENYLISOTHIOCYAN ATE;tert-ButylN-(4-isothiocyanatophenylmethyl)carbamate,BAMPITC,N-Boc-4-isothiocyanatobenzylamine,4-(N-tert-Butoxycarbonylaminomethyl)phenylisothiocyanate;4-(Boc-aminomethyl)phenyl isothiocyanate ~95%

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4-(BOC-AMINOMETHYL)PHENYL ISOTHIOCYANATE Basic Attributes

Molecular Weight：

264.34

Exact Mass：

264.09300

DSSTox ID：

DTXSID20350892

HScode：

2930909090

Characteristics

PSA：

82.8

XLogP3：

3.83650

Density：

1.11g/cm3

Melting Point：

111-113 °C

Boiling Point：

416ºC at 760 mmHg

Flash Point：

205.4ºC

Refractive Index：

1.547

Storage Conditions：

2-8°C

Safety Information

wgk germany：

hazard class code：

20/21/22-36/37/38-42

safety instructions：

22-26-36

Marks：

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): 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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:264.35
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:264.09324893
Monoisotopic Mass:264.09324893
Topological Polar Surface Area:82.8
Heavy Atom Count:18
Complexity:324
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(BOC-AMINOMETHYL)PHENYL ISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

4-(BOC-AMINOMETHYL)PHENYL ISOTHIOCYANATE

SDS

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