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2-IODOTHIOANISOLE

2-IODOTHIOANISOLE structure

CAS No:
33775-94-9
Formula:
C7H7IS
Chemical Name:
2-IODOTHIOANISOLE
Synonyms:
2-IODOTHIOANISOLE;1-IODO-2-(METHYLTHIO)BENZENE;2-Iodophenyl methyl sulphide~2-(Methylthio)iodobenzene;2-Iodophenyl methyl sulfide;1-Iodo-2-(methylthio)benzene, 95+%;(2-iodophenyl)(methyl)sulfane;1-(Methylthio)-2-iodobenzene;Methyl[2-iodophenyl] sulfide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-IODOTHIOANISOLE Basic Attributes

Molecular Weight：

250.1

Exact Mass：

249.931305

BRN：

2516385

EC Number：

-0

DSSTox ID：

DTXSID50384246

HScode：

29309090

Characteristics

Density：

1.8±0.1 g/cm3

Boiling Point：

129 °C

Flash Point：

129-131°C/3mm

Refractive Index：

1.671

Safety Information

Packing level：

III

Hazard category：

LIGHT SENSITIVE, STENCH

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

R35:Causes severe burns. R34:Causes burns. R21/22:Harmful in contact with skin and if swallowed .

safety instructions：

S26-S36/37/39-S45

RTECS Number：

UE8750000

Marks：

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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:250.10
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:249.93132
Monoisotopic Mass:249.93132
Topological Polar Surface Area:25.3
Heavy Atom Count:9
Complexity:85
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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