CAS 17701-76-7|tert-octyl isothiocyanate

Introduction：Basic information about CAS 17701-76-7|tert-octyl isothiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Customs
5. Synonyms

Common Name	tert-octyl isothiocyanate
CAS Number	17701-76-7	Molecular Weight	171.30300
Density	1.199	Boiling Point	227.7ºC at 760mmHg
Molecular Formula	C₉H₁₇NS	Melting Point	/
MSDS	/	Flash Point	69 °C

Names

Name	2-isothiocyanato-2,4,4-trimethylpentane
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.199
Boiling Point	227.7ºC at 760mmHg
Molecular Formula	C₉H₁₇NS
Molecular Weight	171.30300
Flash Point	69 °C
Exact Mass	171.10800
PSA	44.45000
LogP	3.30400
Index of Refraction	1.483-1.487
InChIKey	KUGHMFIBHMZICO-UHFFFAOYSA-N
SMILES	CC(C)(C)CC(C)(C)N=C=S
Storage condition	0-6°C

Safety Information

Hazard Codes	Xn: Harmful;
Risk Phrases	R36/37/38
Safety Phrases	S36/37/39-S26
RIDADR	2810
Packaging Group	III
Hazard Class	6.1(b)
HS Code	2930909090

Customs

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Synonyms

MFCD00004817

EINECS 241-710-2

1,1,3,3-Tetramethyl-butylisothiocyanat

1,1,3,3-tetramethyl-butyl isothiocyanate

tert-octyl isothiocyanate

2-Isothiocyanato-2,4,4-trimethyl-pentan

Pentane,2-isothiocyanato-2,4,4-trimethyl

t-octyl isothiocyanate

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