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Home> Hot Product Listed S   > STOCK2S-68449
461-96-1 structure

STOCK2S-68449

Iupac Name:1-bromo-3,5-difluorobenzene
CAS No.:461-96-1
Molecular Weight:192.99
Molecular Formula:C25H22CLFN2O2 (isomer)
Names and Identifiers
Synonyms

AC1LTT45 AKOS002240655 ethyl 4-({4-[(hexyloxy)carbonyl]phenyl}amino)-8-methylquinoline-3-carboxylate ethyl 4-(4-hexoxycarbonylanilino)-8-methylquinoline-3-carboxylate MOLPORT-000-665-930 ST50194482 STK538920 ZINC1777814

Inchi
InChI=1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChkey
JHLKSIOJYMGSMB-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=C(C=C1F)Br)F
Properties
Melting Point
-27 °C
Vapour
7.81mmHg at 25°C
Refractive Index
n20/D 1.499(lit.)
Safety and Handling
Risk Statements
10-22-38-43-48/22-50/53-36/37/38
Safety Statements
24-36/37-60-61-36-26-16
HazardClass
3
PackingGroup
III
Transport
UN 1993 3/PG 3
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 461-96-1 EC: STOCK2S-68449 ·ECHA C&L Inventory for CAS: CAS: 461-96-1 EC: STOCK2S-68449
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Skin sensitization, Category 1

Specific target organ toxicity \u2013 repeated exposure, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

H302 Harmful if swallowed

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H373 May cause damage to organs through prolonged or repeated exposure

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

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.

P272 Contaminated work clothing should not be allowed out of the workplace.

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

P273 Avoid release to the environment.

Response

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

P370+P378 In case of fire: Use ... to extinguish.

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

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:192.99g/mol
  • Molecular Formula:C25H22CLFN2O2
  • Compound Is Canonicalized:True
  • Exact Mass:191.939
  • Monoisotopic Mass:191.939
  • Complexity:87.1
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:9
  • 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: AAADcQBgAYAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGQBAAAABqACAEAgwAIAAAACA ACBCAAACAAAgAAQAiAAAAKgIICKAERCAIAAggAAIihcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-371-86658258
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
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