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2H-Indazole, 6-chloro-2-methyl-5-nitro- structure
2H-Indazole, 6-chloro-2-methyl-5-nitro- structure

2H-Indazole, 6-chloro-2-methyl-5-nitro-

Iupac Name:bromoethane
CAS No.:74-96-4
Molecular Weight:108.9651
1. Names and Identifiers
1.1 Name
2H-Indazole, 6-chloro-2-methyl-5-nitro-
1.2 Synonyms

6-chloro-2-methyl-5-nitro-2H-indazole

1.3 CAS No.
74-96-4
1.4 CID
6332
1.5 Molecular Formula
C21H18F2N4O3 (isomer)
1.6 Inchi
InChI=1S/C2H5Br/c1-2-3/h2H2,1H3
1.7 InChkey
RDHPKYGYEGBMSE-UHFFFAOYSA-N
1.8 Canonical Smiles
CCBr
1.9 Isomers Smiles
CCBr
2. Properties
3.1 Melting point
-119℃
3.1 Refractive index
1.4225-1.4245
3.1 Vapour pressure
375 mm Hg at 68 °F ; 400 mm Hg at 70° F (NTP, 1992)
3.1 Precise Quality
107.95700
3.1 PSA
0.00000
3.1 logP
1.40120
3. Safety and Handling
4.1 Risk Statements
R11;R20/22;R40
4.1 Safety Statements
S36/37
4.1 Packing Group
II
4.1 Hazard Class
6.1
4.1 RIDADR
UN 1891
4.1 WGK Germany
1
4.1 RTECS
KH6475000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Acute toxicity - Oral, Category 4

Acute toxicity - Inhalation, Category 4

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H302 Harmful if swallowed

H332 Harmful if inhaled

H351 Suspected of causing cancer

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.

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

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.

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

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

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

Storage

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

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:108.9651g/mol
  • Molecular Formula:C21H18F2N4O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.4
  • Exact Mass:107.95746
  • Monoisotopic Mass:107.95746
  • Complexity:2.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:3
  • 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
6. Question & Answer
  • The YBCO (yttrium-barium copper-oxide) a leading contender for fusion. YBCO superconductors typically have the form of a tape consisting of multiple deposition layers. YBCO tapes have superior electrical and mechanical properties compared to Nb3Sn, leading to significant interest and private invest...
  • I do not understand your question: what do you mean by oxidation level 1 of a molecule? A molecule is neutral!!
  • This question is (at present) not well formatted. I believe it should read “What is the mechanism of the reaction of propene with hydrogen bromide to bromoethane”. And are you sure the product is bromoethane and not 1- or 2-bromopropane? You can get 1-bromopropane from propene + HBr by the mechan...
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