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Key Documents

Safety Information

487074

Sigma-Aldrich

Toluene-α, α, α-d3

99 atom % D

Synonym(s):

Methyl-d3-benzene

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About This Item

Linear Formula:
C6H5CD3
CAS Number:
Molecular Weight:
95.16
MDL number:
UNSPSC Code:
12352116
PubChem Substance ID:
NACRES:
NA.13

isotopic purity

99 atom % D

Assay

99% (CP)

refractive index

n20/D 1.496 (lit.)

bp

110 °C (lit.)

mp

-93 °C (lit.)

density

0.895 g/mL at 25 °C

mass shift

M+3

SMILES string

[2H]C([2H])([2H])c1ccccc1

InChI

1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3

InChI key

YXFVVABEGXRONW-FIBGUPNXSA-N

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.

Signal Word

Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3

Target Organs

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

39.2 °F

Flash Point(C)

4 °C


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

PRTR

Class I Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

487074-BULK:
487074-5G:4548173161099
487074-VAR:


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