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1-Chloro-4-(isothiocyanatomethyl)benzene

1-Chloro-4-(isothiocyanatomethyl)benzene structure

CAS No:
3694-45-9
Formula:
C8H6ClNS
Chemical Name:
1-Chloro-4-(isothiocyanatomethyl)benzene
Synonyms:
Benzene,1-chloro-4-(isothiocyanatomethyl)-;Isothiocyanic acid,p-chlorobenzyl ester;Toluene,p-chloro-α-isothiocyanato-;1-Chloro-4-(isothiocyanatomethyl)benzene;p-Chlorobenzyl isothiocyanate;4-Chlorobenzyl isothiocyanate;1-Isothiocyanatomethyl-4-chlorobenzene;NSC 221238

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1-Chloro-4-(isothiocyanatomethyl)benzene Basic Attributes

Molecular Weight：

183.65800

Exact Mass：

183.66

NSC Number：

221238

DSSTox ID：

DTXSID80190433

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

2.94280

Density：

1.291 g/cm³ @ Temp: 20 °C

Boiling Point：

105-108 °C @ Press: 0.35 Torr

Flash Point：

169-170°C/25mm

Refractive Index：

1.6155

Water Solubility：

27.18mg/L(25 ºC)

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

2810

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S36/37/39

RTECS Number：

NX8470000

Marks：

T: Toxic;

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): 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, P311, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:183.66
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:182.9909481
Monoisotopic Mass:182.9909481
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: 2-bromo-2-methylbutane; natriumtripolyphosphat; ivorit; potassium hydrogen phthalate; acetate molecular formula; hiende

Guide of 1-Chloro-4-(isothiocyanatomethyl)benzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-Chloro-4-(isothiocyanatomethyl)benzene

SDS

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