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Merck
CN

288470

Benzyl chloride-α-13C

99 atom % 13C

Synonym(s):

α-Chlorotoluene-α-13C

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About This Item

Linear Formula:
C6H513CH2Cl
CAS Number:
57742-41-3
Molecular Weight:
127.58
NACRES:
NA.12
PubChem Substance ID:
24857342
UNSPSC Code:
12352202
MDL number:
MFCD00000890
Isotopic purity:
99 atom % 13C
Mass shift:
M+1

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InChI

1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2/i6+1

SMILES string

Cl[13CH2]c1ccccc1

InChI key

KCXMKQUNVWSEMD-PTQBSOBMSA-N

isotopic purity

99 atom % 13C

refractive index

n20/D 1.538 (lit.)

bp

177-181 °C (lit.)

mp

−43 °C (lit.)

density

1.109 g/mL at 25 °C

mass shift

M+1

Quality Level

200

Related Categories

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

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Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Carc. 1B - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT RE 2 Oral - STOT SE 3

target_organs

Heart,forestomach, Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

165.2 °F - closed cup

flash_point_c

74 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
09376ES
085H3761
085H3758

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