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4-Chloro-2-isothiocyanato-1-methylbenzene

4-Chloro-2-isothiocyanato-1-methylbenzene structure

CAS No:
19241-36-2
Formula:
C8H6ClNS
Chemical Name:
4-Chloro-2-isothiocyanato-1-methylbenzene
Synonyms:
Benzene,4-chloro-2-isothiocyanato-1-methyl-;Isothiocyanic acid,5-chloro-o-tolyl ester;4-Chloro-2-isothiocyanato-1-methylbenzene;5-Chloro-o-tolyl isothiocyanate;5-Chloro-2-methylphenyl isothiocyanate;2-Methyl-5-chlorophenyl isothiocyanate;NSC 134677
Categories:
Chemical Reagents > Organic Reagents

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4-Chloro-2-isothiocyanato-1-methylbenzene Basic Attributes

Molecular Weight：

183.66

Exact Mass：

183.66

BRN：

2717659

EC Number：

-0

NSC Number：

134677

DSSTox ID：

DTXSID00172832

HScode：

29291090

Characteristics

PSA：

44.4

XLogP3：

3.38270

Appearance：

Yellow Liquid

Density：

1.248 g/mL at 25 °C(lit.)

Boiling Point：

123 °C @ Press: 8 Torr

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.646(lit.)

Vapor Pressure：

0.0031mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

2810

wgk germany：

hazard class code：

safety instructions：

26-27-36/37/39-45

RTECS Number：

NX8476000

Marks：

Precautionary statement(s)：

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (97.73%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:183.66
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:182.9909481
Monoisotopic Mass:182.9909481
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-Chloro-2-isothiocyanato-1-methylbenzene

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

97% 5-Chloro-2-methylphenyl isothiocyanate

CAS No.: 19241-36-2

Content: 99.00%

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Guide of 4-Chloro-2-isothiocyanato-1-methylbenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties
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