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Merck
CN

566942

Sigma-Aldrich

(3-Nitrobenzyl)mercaptan

97%

Synonym(s):

(3-Nitrophenyl)methanethiol

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About This Item

Linear Formula:
O2NC6H4CH2SH
CAS Number:
77472-39-0
Molecular Weight:
169.20
MDL number:
MFCD00024542
UNSPSC Code:
12352100
PubChem Substance ID:
24880334
NACRES:
NA.22

Key Documents

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Assay

97%

refractive index

n20/D 1.6070 (lit.)

bulk density

1.270 g/mL

functional group

nitro
thiol

SMILES string

[O-][N+](=O)c1cccc(CS)c1

InChI

1S/C7H7NO2S/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,11H,5H2

InChI key

MNNASYKPIIJEJF-UHFFFAOYSA-N

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

180.0 °F - closed cup

Flash Point(C)

82.2 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBJ2600V
03398LJ
05416KH
05916AA

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