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4-BROMO-2-CHLOROPHENYL ISOTHIOCYANATE

4-BROMO-2-CHLOROPHENYL ISOTHIOCYANATE structure

CAS No:
98041-69-1
Formula:
C7H3BrClNS
Chemical Name:
4-BROMO-2-CHLOROPHENYL ISOTHIOCYANATE
Synonyms:
4-Bromo-2-chlorophenyl isothiocyanate;4-bromo-2-chloro-1-isothiocyanatobenzene;LAURYLLAURATE;SCHEMBL1457687;CTK5H9662;ZINC2390076;4589AF;MFCD00041051;4-Bromo-2-chloroisothiocyanatobenzene;AKOS009158934

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4-BROMO-2-CHLOROPHENYL ISOTHIOCYANATE Basic Attributes

Molecular Weight：

248.53

Exact Mass：

246.88600

BRN：

6919745

EC Number：

-0

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

3.83680

Appearance：

Pale yellow crystalline powder

Density：

1.7934 (estimate)

Melting Point：

46-48 °C(lit.)

Boiling Point：

134 °C0.5 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

1.641

Storage Conditions：

Keep Cold

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Xi,T

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (11.63%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:248.53
XLogP3:4.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:246.88581
Monoisotopic Mass:246.88581
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-BROMO-2-CHLOROPHENYL ISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

4-BROMO-2-CHLOROPHENYL ISOTHIOCYANATE

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