2-Isothiocyanato-1,3-dimethylbenzene

Basic Information

View in Editor

CAS Number

19241-16-8

Molecular Formula

C9H9NS

Molecular Weight

163.25 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

247 °C

Water Solubility

Hydrolyzes in water.

Refractive Index

n20/D 1.627(lit.)

SMILES

View in Editor

CC1=C(C(=CC=C1)C)N=C=S

InChI

InChI=1S/C9H9NS/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3

InChIKey

UULUECCNPPJFBU-UHFFFAOYSA-N

LogP

3.037740000000002

Topological Polar Surface Area

12.36 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

162

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture Sensitive

Synonyms & References

English

SY061723
2-isothiocyanato-1,3-dimethyl-benzene
A813566
Z56921379
XYLAZINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
NSC 172978
CK2531
2,6-DIMETHYLPHENYL ISOTHIOCYANATE [USP IMPURITY]
FT-0610704
2-Isothiocyanato-1,3-dimethylbenzene #
AS-64017
NS00026273
UNII-TIM0LV0QKN
EN300-17324
NSC172978
2,6-Dimethylphenyl isothiocyanate
2,6-Xylyl isothiocyanate
J-802060
BCP17789
MFCD00038715
1-ISOTHIOCYANATO-2,6-DIMETHYLBENZENE
2,6-Dimethylphenyl-1-isothiocyanate
NSC-172978
Benzene, 2-isothiocyanato-1,3-dimethyl-
SCHEMBL944147
FT-0610705
Isothiocyanic acid, 2,6-xylyl ester
2,6-Dimethylphenyl isothiocyanate, 98%
GEO-03404
EINECS 242-906-0
AKOS000212455

MDL Number

MFCD00038715

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 2-Isothiocyanato-1,3-dimethylbenzene (CAS: 19241-16-8)?

2-Isothiocyanato-1,3-dimethylbenzene has a crystalline form and a molecular weight of approximately 238.23 g/mol. It is slightly soluble in water but has good solubility in organic solvents like acetone and dichloromethane. The compound is known for its reactivity, particularly towards nucleophiles, making it useful in various chemical reactions.

How is 2-Isothiocyanato-1,3-dimethylbenzene (CAS: 19241-16-8) typically synthesized?

2-Isothiocyanato-1,3-dimethylbenzene can be synthesized by the reaction of isothiocyanate with 1,3-dimethylbenzene. Commonly, this is achieved through a multi-step process involving the preparation of isothiocyanate and its reaction with the aromatic compound. The synthesis typically requires mild conditions and can achieve high yield under optimized conditions.

What industries use 2-Isothiocyanato-1,3-dimethylbenzene (CAS: 19241-16-8)?

2-Isothiocyanato-1,3-dimethylbenzene is used in various industries. It finds applications in the pharmaceutical sector for the synthesis of certain compounds, in the polymer industry for modifying properties of polymers, and in the chemical sensing field for developing gas sensors. Its unique chemical properties also make it valuable in the semiconductor industry for certain processes.

What precautions should be taken when handling 2-Isothiocyanato-1,3-dimethylbenzene (CAS: 19241-16-8)?

When handling 2-Isothiocyanato-1,3-dimethylbenzene, it is crucial to wear appropriate personal protective equipment (PPE), including gloves and goggles. Work should be conducted in a well-ventilated area or fume hood to minimize exposure. Spills should be managed using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed handling instructions. It is also important to ensure proper storage to prevent degradation and to follow local regulations for waste disposal.