CAS
28097-03-2 Purity
>98%
28097-03-2 Purity
>98%
Inquiry Basket
3-METHYLBENZYL ISOTHIOCYANATE
CAS
28115-86-8
Catalog Number
ACM28115868
Category
Other Products
Molecular Weight
163.24
Molecular Formula
C9H9NS
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
3-Methylbenzoyl isothiocyanate, MolPort-000-157-069, ZINC02528092, CID141397, 28115-86-8
IUPAC Name
3-methylbenzoyl isothiocyanate
Canonical SMILES
CC1=CC=CC(=C1)C(=O)N=C=S
InChI Key
DXKOLJYVHYILGA-UHFFFAOYSA-N
Boiling Point
285.7ºC at 760mmHg
Flash Point
126.6ºC
Density
1.11g/cm³
Exact Mass
177.02500
H-Bond Acceptor
1
H-Bond Donor
0
Safety Description
26-36/37/39
Upstream Synthesis Route 1
- 74119-86-1
- 1711-06-4
- 28115-86-8
- 69082-76-4
Reference: [1]Kantlehner, Willi; Kapassakalidis, Johannis J.; Speh, Peter; Braeuner, Hans-Juergen
[Liebigs Annalen der Chemie, 1980, # 3, p. 389 - 393]
Downstream Synthesis Route 1
- 64037-15-6
- 28115-86-8
- 22876-15-9
- 38334-93-9
- 128406-96-2
Reference: [1]Synthetic Communications,1990,vol. 20,p. 693 - 701
Downstream Synthesis Route 2
- 31784-71-1
- 28115-86-8
- 128530-39-2
Reference: [1]Sambaiah, T.; Reddy, K.Kondal
[Synthetic Communications, 1990, vol. 20, # 3, p. 355 - 364]
* For details of the synthesis route, please refer to the original source to ensure accuracy.
Recommended Products
