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NISTC2101862

NISTC2101862 structure

CAS No:
2101-86-2
Formula:
C7H7N3
Chemical Name:
NISTC2101862
Synonyms:
NISTC2101862;1-Methyl-4-azidobenzene;4-Azidotoluene;4-Methyl-1-azidobenzene;4-Methylphenyl azide;p-Methylphenyl azide;4-Azidotoluene solution;4-Azidotoluene solution ~0.5 M in tert-butyl methyl ether, >=95.0% (HPLC)
Categories:
Chemical Reagents > Organic Reagents

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NISTC2101862 Basic Attributes

Molecular Weight：

133.154

Exact Mass：

133.06400

DSSTox ID：

DTXSID90175216

Characteristics

PSA：

49.75000

XLogP3：

2.38956

Density：

1.0527

Melting Point：

-29°C

Boiling Point：

235.67°C (rough estimate)

Flash Point：

-33℃

Refractive Index：

1.5341 (estimate)

Storage Conditions：

-20°C

Safety Information

Transport codes：

UN 2398 3 / PGII

wgk germany：

hazard class code：

11-38

safety instructions：

Marks：

F,Xi

Precautionary statement(s)：

P210-P305 + P351 + P338

Hazard Statements：

H225-H315-H319

GHS Classification：

|Warning|H228 (100%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, 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:133.15
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:133.063997236
Monoisotopic Mass:133.063997236
Topological Polar Surface Area:14.4
Heavy Atom Count:10
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-Azido-4-methylbenzene

CAS No.: 2101-86-2

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