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Home> Encyclopedia > Hot Product Listed 1   > 1-Bromo-3,5-difluorobenzene
461-96-1 structure

1-Bromo-3,5-difluorobenzene

Iupac Name:1-bromo-3,5-difluorobenzene
CAS No.:461-96-1
EINECS(EC#): 610-286-4; 416-710-2
Molecular Weight:192.99
Molecular Formula:C6H3BrF2 (isomer)
Names and Identifiers
Synonyms

1-Brom-3,5-difluorbenzol 1-Bromo-3,5-difluorobenzene 98% 1-Bromo-3,5-difluorobenzene,98% [3,5-Difluorobromobenzene] 1-Bromo-3,5-difluorobenzene98% 3,5-difluoro-1-bromobenzene 3,5-DIFLUOROBROMOBENZENE 3,5-DIFLUOROBROMOBENZENE A.K.A.1-BROMO-3,5-DIFLUOR

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
Appearance
colorless clear liquid
Density
1.676 g/mL at 25 °C(lit.)
Melting Point
-27 °C
Boiling Point
140 °C(lit.)
Vapour
7.81mmHg at 25°C
Refractive Index
n20/D 1.499(lit.)
Flash Point
112 °F
Solubility
0.238 g/L (20 oC)
Color/Form
Clear colorless to light yellow
HS Code
2903399090
Storage temp
Flammables area
Safety and Handling
Hazard Codes
Xn,N,F,Xi
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
Safety

Hazard Codes:?HarmfulXn,IrritantXi?,?DangerousN,??FlammableF,
The Risk Statements information of? 1-Bromo-3,5-difluorobenzene :
10:? Flammable?
22:? Harmful if swallowed?
38:? Irritating to the skin?
43:? May cause sensitization by skin contact?
36/37/38:? Irritating to eyes, respiratory system and skin?
48/22:? Harmful: danger of serious damage to health by prolonged exposure if swallowed?
50/53:? Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment?
The Safety Statements information of? 1-Bromo-3,5-difluorobenzene:
16:? Keep away from sources of ignition - No smoking?
24:? Avoid contact with skin?
26:? In case of contact with eyes, rinse immediately with plenty of water?and seek medical advice?
36:? Wear suitable protective clothing?
60:? This material and/or its container must be disposed of as hazardous waste?
61:? Avoid release to the environment. Refer to special instructions safety data sheet?
36/37:? Wear suitable protective clothing and gloves?
RIDADR: UN 1993 3/PG 3
WGK Germany:2
Hazard Note:Flammable

PackingGroup
III
Transport
UN 1993 3/PG 3
Specification

? 1-Bromo-3,5-difluorobenzene ,?its cas register number is 461-96-1. It also can be called?Benzene, 1-bromo-3,5-difluoro ;?3,5-Difluorobromobenzene .?1-Bromo-3,5-difluorobenzene (CAS NO.461-96-1) is a clear colourless to light yellow liquid.

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

Precursor and Product
Computational chemical data
  • Molecular Weight:192.99g/mol
  • Molecular Formula:C6H3BrF2
  • 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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