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Home> Hot Product Listed Z   > ZINC20430087
127-17-3 structure

ZINC20430087

CAS No.:127-17-3
Molecular Weight:88.06206
Molecular Formula:C15H9CL2F3N2O2 (isomer)
Names and Identifiers
Synonyms

mfcd11189091 n-(2-bromo-4-fluorophenyl)-3-chlorobenzamide

Inchi
InChI=1/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChkey
LCTONWCANYUPML-UHFFFAOYSA-N
Canonical Smiles
CC(=O)C(=O)O
Properties
Melting Point
11.8℃
Vapour
0.968mmHg at 25°C
Refractive Index
1.426-1.43
HS Code
29335995
Safety and Handling
Risk Statements
R34
Safety Statements
S25;S36/37/39;S45
HazardClass
8
PackingGroup
II
Transport
UN 3265 8/PG 2
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 127-17-3 EC: ZINC20430087 ·ECHA C&L Inventory for CAS: CAS: 127-17-3 EC: ZINC20430087
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1C

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:88.06206g/mol
  • Molecular Formula:C15H9CL2F3N2O2
  • Exact Mass:88.016044
  • Monoisotopic Mass:88.016044
  • Complexity:84
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:54.4
  • Heavy Atom Count:6
  • 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
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