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1-(METHYLSULFONYL)-4-NITROBENZENE

1-(METHYLSULFONYL)-4-NITROBENZENE structure

CAS No:
2976-30-9
Formula:
C7H7NO4S
Chemical Name:
1-(METHYLSULFONYL)-4-NITROBENZENE
Synonyms:
4-METHYLSULFONYLNITROBENZENE;Methylp-nitrophenylsulfone;METHYL4-NITROPHENYLSULFONE;Sulfone,methylp-nitrophenyl;4-methylsulphonylnitrobenzene;1-Methanesulfonyl-4-nitrobenzene;4-(Methylsulfonyl)-1-nitrobenzene;1-Nitro-4-(methylsulfonyl)benzene;1-(METHYLSULFONYL)-4-NITROBENZENE;4-Nitro-1-(methylsulfonyl)benzene

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1-(METHYLSULFONYL)-4-NITROBENZENE Basic Attributes

Molecular Weight：

201.200

Exact Mass：

201.009583

NSC Number：

87342

DSSTox ID：

DTXSID10293128

HScode：

2904909090

Characteristics

PSA：

88.34000

XLogP3：

0.34

Density：

1.4±0.1 g/cm3

Melting Point：

136ºC

Boiling Point：

402.2±37.0 °C at 760 mmHg

Flash Point：

197.1±26.5 °C

Refractive Index：

1.560

Safety Information

hazard class code：

R20/21/22

safety instructions：

S24/25

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:201.20
XLogP3:1.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:201.00957888
Monoisotopic Mass:201.00957888
Topological Polar Surface Area:88.3
Heavy Atom Count:13
Complexity:279
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(METHYLSULFONYL)-4-NITROBENZENE

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-(METHYLSULFONYL)-4-NITROBENZENE

SDS

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