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4-ISOPROPYLPHENYLISOTHIOCYANATE

4-ISOPROPYLPHENYLISOTHIOCYANATE structure

CAS No:
89007-45-4
Formula:
C10H11NS
Chemical Name:
4-ISOPROPYLPHENYLISOTHIOCYANATE
Synonyms:
1-ISOPROPYL-4-ISOTHIOCYANATO-BENZENE;4-ISOPROPYLPHENYL ISOTHIOCYANATE;4-Isopropylphenyl isothiocyanate, 95+%;4-Isopropylphenyl isothiocyate, 98%

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4-ISOPROPYLPHENYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

177.27

Exact Mass：

177.06122053 g/mol

DSSTox ID：

DTXSID20237477

Characteristics

PSA：

44.4 Å²

Density：

1,03 g/cm3

Boiling Point：

154-155°C 20mm

Refractive Index：

1.6050

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

2810

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

GHS Classification：

H413 (88.37%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:177.27
XLogP3:4.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:177.06122053
Monoisotopic Mass:177.06122053
Topological Polar Surface Area:44.4
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-ISOPROPYLPHENYLISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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