hexyl isothiocyanate

Modify Date: 2024-01-09 11:10:50

hexyl isothiocyanate structure	Common Name	hexyl isothiocyanate
	CAS Number	4404-45-9	Molecular Weight	143.25000
	Density	0.933 g/mL at 25 °C(lit.)	Boiling Point	136-138 °C96 mm Hg(lit.)
	Molecular Formula	C₇H₁₃NS	Melting Point	N/A
	MSDS	Chinese USA	Flash Point	195 °F
	Symbol	GHS06	Signal Word	Danger

Name	hexyl isothiocyanate
Synonym	More Synonyms

Density	0.933 g/mL at 25 °C(lit.)
Boiling Point	136-138 °C96 mm Hg(lit.)
Molecular Formula	C₇H₁₃NS
Molecular Weight	143.25000
Flash Point	195 °F
Exact Mass	143.07700
PSA	44.45000
LogP	2.66950
Index of Refraction	n20/D 1.491(lit.)

hexyl isothiocyanate MSDS(Chinese)

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301-H311-H315-H319-H331-H335
Precautionary Statements	P261-P280-P301 + P310-P305 + P351 + P338-P311
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn:Harmful;
Risk Phrases	R20/21/22;R36/37/38
Safety Phrases	S23-S26-S36/37/39-S45
RIDADR	2810
WGK Germany	3
Packaging Group	III
Hazard Class	6.1
HS Code	2930909090

Carbon disulphide

CAS#:75-15-0

Hexylamine

CAS#:111-26-2

~95%

hexyl isothiocyanate

CAS#:4404-45-9

Literature: Munch, Henrik; Hansen, Jon S.; Pittelkow, Michael; Christensen, Jorn B.; Boas, Ulrik Tetrahedron Letters, 2008 , vol. 49, # 19 p. 3117 - 3119

Hexylamine

CAS#:111-26-2

Phenyl chloroth...

CAS#:1005-56-7

~93%

hexyl isothiocyanate

CAS#:4404-45-9

Literature: Chen, Xin; Li, Zhengyi; Sun, Xiaoqiang; Ma, Hongzhao; Chen, Xiaoxin; Ren, Jie; Hu, Kun Synthesis, 2011 , # 24 art. no. F82411SS, p. 3991 - 3996

o-phenyl hexylc...

CAS#:1436862-82-6

~99%

hexyl isothiocyanate

CAS#:4404-45-9

Literature: Li, Zheng-Yi; Ma, Hong-Zhao; Han, Chen; Xi, Hai-Tao; Meng, Qi; Chen, Xin; Sun, Xiao-Qiang Synthesis (Germany), 2013 , vol. 45, # 12 art. no. SS-2013-F0228-OP, p. 1667 - 1674

1-Bromohexane

CAS#:111-25-1

Sodium thiocyanate

CAS#:540-72-7

~10%

hexyl isothiocyanate

CAS#:4404-45-9

Literature: Soula, Gerard Journal of Organic Chemistry, 1985 , vol. 50, # 20 p. 3717 - 3721

Hexylamine

CAS#:111-26-2

hexyl isothiocyanate

CAS#:4404-45-9

Literature: Li, Deguang; Shu, Yanan; Li, Pingliang; Zhang, Wenbing; Ni, Hanwen; Cao, Yongsong Medicinal Chemistry Research, 2013 , vol. 22, # 7 p. 3119 - 3125

ethyl hexylcarb...

CAS#:83962-18-9

~85%

hexyl isothiocyanate

CAS#:4404-45-9

Ethanethiol

CAS#:75-08-1

Literature: Blotny, Grzegorz Liebigs Annalen der Chemie, 1982 , # 10 p. 1927 - 1932

N/A

CAS#:20562-18-9

hexyl isothiocyanate

CAS#:4404-45-9

Literature: Yamamoto, Tamotsu; Terada, Atsushi; Muramatsu, Takashi; Ikeda, Katsuya Organic Preparations and Procedures International, 1994 , vol. 26, # 5 p. 555 - 557

N/A

CAS#:1412426-98-2

hexyl isothiocyanate

CAS#:4404-45-9

Literature: Li, Deguang; Shu, Yanan; Li, Pingliang; Zhang, Wenbing; Ni, Hanwen; Cao, Yongsong Medicinal Chemistry Research, 2013 , vol. 22, # 7 p. 3119 - 3125

Thiophosgene

CAS#:463-71-8

Hexylamine

CAS#:111-26-2

hexyl isothiocyanate

CAS#:4404-45-9

Literature: Dyson; Hunter Recueil des Travaux Chimiques des Pays-Bas, 1926 , vol. 45, p. 422 Chem. News J. Ind. Sci., 1927 , vol. 134, p. 5 Chem. Zentralbl., 1927 , vol. 98, # I p. 1300

Precursor 8
CAS#:75-15-0 Carbon disulphide CAS#:111-26-2 Hexylamine CAS#:1005-56-7 Phenyl chloroth... CAS#:1436862-82-6 o-phenyl hexylc...
CAS#:111-25-1 1-Bromohexane CAS#:540-72-7 Sodium thiocyanate CAS#:83962-18-9 ethyl hexylcarb... CAS#:463-71-8 Thiophosgene
DownStream 4
CAS#:21071-28-3 1,3-dihexylthiourea CAS#:53347-40-3 4-Hexyl-3-thios... CAS#:15586-23-9 Hexane, 1-isocyano- CAS#:2209-30-5 1-hexyl-3-(hexy...

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%

Nematicidal Activity of the Volatilome of Eruca sativa on Meloidogyne incognita.

J. Agric. Food Chem. 63 , 6120-5, (2015)

Research on new pesticides based on plant extracts, aimed at the development of nontoxic formulates, has recently gained increased interest. This study investigated the use of the volatilome of rucola...

Anti-nitric oxide production activity of isothiocyanates correlates with their polar surface area rather than their lipophilicity.

Eur. J. Med. Chem. 44 , 4931-6, (2009)

There is increasing demand for novel anti-inflammatory drugs with different mechanisms of action. We synthesized a series of isothiocyanates 2b-h based on 6-(methylsulfinyl)hexyl isothiocyanate (6-MIT...

Moody CJ.

Comprehensive Organic Functional Group Transformations: Synthesis: carbon with two heteroatoms, each attached by a single bond , (1995) 5 , 1009

1-Hexyl isothiocyanate

1-Isothiocyanatohexane,n-Hexyl mustard oil

EINECS 224-549-2

MFCD00014445

Hexyl Isothiocyanate

1-isothiocyanatohexane