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

3D Mol Similar

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

Iupac Name：bromoethane

CAS No.：74-96-4

Molecular Weight：108.9651

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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

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5. Computational chemical data

Molecular Weight：108.9651g/mol
Molecular Formula：C_₂₁H_₁₈F_₂N_₄O_₃
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

What is the chemical formula of bromoethane? Mar 27 2022
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...
Is bromoethane at the oxidation level 1? Feb 10 2022
I do not understand your question: what do you mean by oxidation level 1 of a molecule? A molecule is neutral!!
Does the mechanism of propene react with hydrogen bromine to bromoethane? Jan 30 2022
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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