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2-Methylbenzoselenazole

2-Methylbenzoselenazole structure

CAS No:
2818-88-4
Formula:
C8H7NSe
Chemical Name:
2-Methylbenzoselenazole
Synonyms:
Benzoselenazole,2-methyl-;2-Methylbenzoselenazole;NSC 379483;2-Methyl-1,3-benzoselenazole;1195144-19-4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear yellow to orange liquid after melting

2-Methylbenzoselenazole Basic Attributes

Molecular Weight：

196.10800

Exact Mass：

196.11

EC Number：

220-577-4

UNII：

3WNU6I1DZH

NSC Number：

379483

DSSTox ID：

DTXSID3062653

HScode：

2927000090

Characteristics

PSA：

12.89000

XLogP3：

1.60020

Appearance：

Yellow solid.

Melting Point：

32-33 °C

Boiling Point：

140 °C @ Press: 51 Torr

Flash Point：

>230 °F

Refractive Index：

n20/D 1.652(lit.)

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

0.0901mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

R23/25;R33;R50/53

safety instructions：

S20/21-S28-S45-S60-S61-S28A

RTECS Number：

DK7700000

Marks：

T: Toxic;N: Dangerous for the environment;

Precautionary statement(s)：

P260, P261, P264, P270, P271, P273, P301+P310, P304+P340, P311, P314, P321, P330, P391, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P273, P301+P310, P304+P340, P311, P314, P321, P330, P391, P403+P233, P405, 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.

2-Methylbenzoselenazole Use and Manufacturing

Manufacturing Info：

Benzoselenazole, 2-methyl-: INACTIVE

Computed Properties

Molecular Weight:196.12
Hydrogen Bond Acceptor Count:1
Exact Mass:196.97437
Monoisotopic Mass:196.97437
Topological Polar Surface Area:12.9
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes