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Home> Hot Product Listed C   > Coenzyme A, lithium salt
100-51-6 structure

Coenzyme A, lithium salt

Iupac Name:phenylmethanol
CAS No.:100-51-6
Molecular Weight:108.13800
Molecular Formula:C6H7CLN2O (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChkey
WVDDGKGOMKODPV-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)CO
Properties
Melting Point
-15 °C
Vapour
0.158mmHg at 25°C
Refractive Index
n20/D 1.539(lit.)
Flash Point
194.8°C
HS Code
2906210000
Safety and Handling
Risk Statements
R20/22; R63; R43; R36/37/38; R23/24/25; R45; R40
Safety Statements
S26-S36/37-S24/25-S23-S53
Hazard Note
H302 + H332; H319
PackingGroup
Z01
Transport
UN 1593 6.1/PG 3
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 10000_100000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED(SHANDONG LIAOCHENG ZHONGSHENG LANRUI CHEMICAL CO., LTD.) 2015
Emerald Kalama Chemical, B.V. 2010
Henkel Global Supply Chain B.V. 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:108.13800g/mol
  • Molecular Formula:C6H7CLN2O
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.1
  • Exact Mass:108.058
  • Monoisotopic Mass:108.058
  • Complexity:55.4
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2A^2
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADACgmAIwAIAAAgCA AiBCAAACAAAgAAAIiAAACIgINiKAERCAcAAkwAEImAeAwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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