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Home> Encyclopedia >   /  Amine  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Other Organic Chemicals  /  Organic Intermediates
2-(Bromomethyl)-3-fluoro-5-methyl-4-(trifluoromethoxy)pyridine structure
2-(Bromomethyl)-3-fluoro-5-methyl-4-(trifluoromethoxy)pyridine structure

2-(Bromomethyl)-3-fluoro-5-methyl-4-(trifluoromethoxy)pyridine

Iupac Name:N,N-dimethylformamide
CAS No.:68-12-2
Molecular Weight:73.09378
1. Names and Identifiers
1.1 Name
2-(Bromomethyl)-3-fluoro-5-methyl-4-(trifluoromethoxy)pyridine
1.2 CAS No.
68-12-2
1.3 CID
6228
1.4 Molecular Formula
C8H6BRF4NO2 (isomer)
1.5 Inchi
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
1.6 InChkey
ZMXDDKWLCZADIW-UHFFFAOYSA-N
1.7 Canonical Smiles
CN(C)C=O
1.8 Isomers Smiles
CN(C)C=O
2. 3D Conformer
3. Properties
3.1 Melting Point
-61℃
3.2 Vapour
3.7 mm Hg at 77 ° F ; 2.7 mm Hg at 68° F (NTP, 1992)
3.3 Refractive Index
1.429-1.432
3.4 Alpha
0.94 o
4. Safety and Handling
4.1 Risk Statements
R20/21;R36;R61
4.2 Safety Statements
S45;S53
4.3 HazardClass
3
4.3 PackingGroup
III
4.4 Transport
UN 2265
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Dermal, Category 4

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H312 Harmful in contact with skin

H319 Causes serious eye irritation

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

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

P264 Wash ... thoroughly after handling.

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

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

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

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

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

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

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

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:73.09378g/mol
  • Molecular Formula:C8H6BRF4NO2
  • XLogP3-AA:_1
  • Exact Mass:73.052764
  • Monoisotopic Mass:73.052764
  • Complexity:33.9
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.3
  • Heavy Atom Count:5
  • 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
8. Question & Answer
  • N,N-Dimethylformamide, or dimethylformamide is an organic compound with the formula (CH3)2NC(O)H. Commonly abbreviated as DMF (although this initialism is sometimes used for dimethylfuran, or dimethyl fumarate), this colourless liquid is miscible with water and the majority of organic liquids. DMF ...
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