13929

Benzyl thiocyanate

≥95.0% (GC)

Manufacturer: Sigma Aldrich

CAS Number: 3012-37-1

Synonym(S): Benzyl rhodanide

Select a Size

Pack Size SKU Availability Price
100 G 13929-100-G In Stock ₹ 6,126.95

13929 - 100 G

₹ 6,126.95

In Stock

Quantity

1

Base Price: ₹ 6,126.95

GST (18%): ₹ 1,102.851

Total Price: ₹ 7,229.801

Quality Level

100

Assay

≥95.0% (GC)

form

solid

bp

230-235 °C (lit.)

mp

39-41 °C (lit.)39-41 °C

solubility

diethyl ether: soluble 0.5 g/10 mL, clear to very faintly turbid, colorless to almost colorless

storage temp.

2-8°C

SMILES string

N#CSCc1ccccc1

InChI

1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2

InChI key

ABNDFSOIUFLJAH-UHFFFAOYSA-N

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Description

  • General description: Benzyl thiocyanate undergoes regioselective bond dissociation during its electrochemical reduction in acetonitrile at an inert electrode[1]. It is added to stimulate the chlortetracycline biosynthesis during industrial fermentations[2]. It undergoes biotransformation into dibenzyl disulphide by Streptomyces aureofaciens[3].
  • Application: Benzyl thiocyanate was used to study the effects of various dietary compounds on the α-hydroxylation of N-nitrosopyrrolidine in male F344 rats in vitro[4].

SAFETY INFORMATION

Pictograms

GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332,H412

Precautionary Statements

P261 - P273 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3

Supplementary Hazards

EUH032

WGK

WGK 3

Flash Point(F)

230.0 °F

Flash Point(C)

110 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Show Difference

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Sigma Aldrich

13929

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Quality Level:
100

Assay:
≥95.0% (GC)

form:
solid

bp:
230-235 °C (lit.)

mp:
39-41 °C (lit.)39-41 °C

solubility:
diethyl ether: soluble 0.5 g/10 mL, clear to very faintly turbid, colorless to almost colorless

storage temp.:
2-8°C

SMILES string:
N#CSCc1ccccc1

InChI:
1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2

InChI key:
ABNDFSOIUFLJAH-UHFFFAOYSA-N

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__

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SMILES string:
CCOC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O

InChI:
1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3/b8-5+

InChI key:
PFBQVGXIMLXCQB-VMPITWQZSA-N

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Sigma Aldrich

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SMILES string:
OS(=O)(=O)c1ccccc1.CN2CCCCC2CCN3c4ccccc4Sc5ccc(cc35)S(C)=O

InChI:
1S/C21H26N2OS2.C6H6O3S/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23;7-10(8,9)6-4-2-1-3-5-6/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1-5H,(H,7,8,9)

InChI key:
CRJHBCPQHRVYBS-UHFFFAOYSA-N

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Sigma Aldrich

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SMILES string:
CC(=O)c1cccc(N)c1

InChI:
1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3

InChI key:
CKQHAYFOPRIUOM-UHFFFAOYSA-N