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1,2-Dichloro-4-isothiocyanatobenzene

1,2-Dichloro-4-isothiocyanatobenzene structure

CAS No:
6590-94-9
Formula:
C7H3Cl2NS
Chemical Name:
1,2-Dichloro-4-isothiocyanatobenzene
Synonyms:
Benzene,1,2-dichloro-4-isothiocyanato-;Isothiocyanic acid,3,4-dichlorophenyl ester;1,2-Dichloro-4-isothiocyanatobenzene;3,4-Dichlorophenyl isothiocyanate;NSC 220236;3,4-Dichloro-1-isothiocyanatobenzene
Categories:
Chemical Reagents > Organic Reagents

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1,2-Dichloro-4-isothiocyanatobenzene Basic Attributes

Molecular Weight：

204.08

Exact Mass：

204.08

BRN：

511101

EC Number：

229-526-0

NSC Number：

220236

DSSTox ID：

DTXSID10216115

HScode：

29309090

Characteristics

PSA：

44.4

XLogP3：

3.72770

Appearance：

clear, light yellow liquid

Density：

1.422 g/mL at 25 °C(lit.)

Melting Point：

178 °C

Boiling Point：

134.8-135.9 °C @ Press: 7 Torr

Flash Point：

>230 °F

Refractive Index：

n20/D 1.68(lit.)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3265 8/PG 3

wgk germany：

hazard class code：

safety instructions：

23-26-27-36/37/39-45

RTECS Number：

NX8490000

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H302 (13.04%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:204.08
XLogP3:4.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:202.9363257
Monoisotopic Mass:202.9363257
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,4-DICHLOROPHENYL ISOTHIOCYANATE

CAS No.: 6590-94-9

Content: 99.00%

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Guide of 1,2-Dichloro-4-isothiocyanatobenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
Latest News
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1,2-Dichloro-4-isothiocyanatobenzene

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