Chemische Enzyklopädie / Pharmaceutical Intermediates / Organic Intermediate / Dyestuff Intermediates

o-Dichlorbenzol

CAS：95-50-1
MW:146.998
MF：C6H4Cl2

Organic synthesis (primarily 3,4-dichloroaniline); solvent; insecticide; dyemanufacture

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Namen und Bezeichner
Eigenschaften
Sicherheit
SDB-Informationen
NMR Spektrum
Weitere Informationen
Computerchemische Daten
Verwandte Fragen
Realisierte Produktinformationen

1. Namen und Bezeichner

1.1 Produktname: o-Dichlorbenzol

1.2 Synonyme: 1,2-Dichlorbenzol, 99 +%, für HPLC, 1,2-DICHLOROBENZEN-EMSURE 2,5 l, 1,2-DICHLOROBENZOL FÜR SYNTHESE, 1,2-DICHLOROBENZEN-EMSURE 1 l, NSC 60644, 1,2-Dichlorbenzol, Wasserfreie, mit SeptuM versiegelte Flasche, DriSolv (R), 1.2-DICHLOROBENZOL-HPLC / SPECTRO, 1,2-Dichlorbenzol, SuperDry, J & KSeal

1.3 CAS No.: 95-50-1

1.4 CID: 7239

1.5 EINECS-Nummer: 202-425-9

1.6 Summenformel: C6H4Cl2

1.7 Inchi: InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H

1.8 InchiKey: RFFLAFLAYFXFSW-UHFFFAOYSA-N

1.9 Kanonisch SMILES: C1=CC=C(C(=C1)Cl)Cl

1.10 Isomere SMILES: C1=CC=C(C(=C1)Cl)Cl

2. Eigenschaften

2.1 Schmelzpunkt: -15 ° C

2.2 Siedepunkt: 179 ° C

2.3 Dampf: 5.1 (vs air)

2.4 Löslich: 0.13g/l

2.5 Dampf: 5.1 (vs air)

2.6 Lagerung: 0-6 ° C

2.7 Wasserlöslichkeit: 0.13 g / L (20 ºC)

3. Sicherheit

3.1 Gefahrencodes: Xn, N, Xi, F, T

3.2 R-Satz: 22-36/37/38-50/53-67-66-52/53-36-11-39/23/24/25-23/24/25-51/53

3.3 S-Satz: 9-16-26-60-61-23-45-36/37-7

3.4 RIDADR: UN 1993 3 / PG 2

3.5 WGK Deutschland: 3

3.6 RTECS: CZ4500000

3.7 Sicherheit und Gefahren

Gefahrencodes	Xn, N, Xi, F, T
R-Satz	22-36/37/38-50/53-67-66-52/53-36-11-39/23/24/25-23/24/25-51/53
S-Satz	9-16-26-60-61-23-45-36/37-7
RIDADR	UN 1993 3 / PG 2
WGK Deutschland	3
RTECS	CZ4500000
TSCA	Ja
Speicherklasse	6.1
Verpackungsgruppe	III
Hs Code	29036100
Gefahrstoffdaten	95-50-1 (Gefahrstoffdaten)

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4. SDB-Informationen

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

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)	H302 Harmful if swallowed H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation H410 Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. P273 Avoid release to the environment.
Response	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. 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. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P391 Collect spillage.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. 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. NMR Spektrum

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

1H NMR : 90 MHz in CDCl3

1H NMR : parameter in CDCl3

IR : CCl4 solution

IR : liquid film

Raman : 4880 A,100M,liquid

Mass

6. Synthetischer Weg.

95-50-1Total: 102 Synthetischer Weg.

88-73-3

95-50-1 34 Lieferanten

87-61-6 56 Lieferanten

95-50-1 34 Lieferanten

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7. Vorläufer und Produkt

Vorläufer:

71-43-2

95-51-2

89-90-7

87-61-6

95-57-8

95-94-3

50-45-3

95-54-5

Produkt:

88-99-3

91-15-6

95-76-1

90-41-5

95-51-2

92-82-0

95-57-8

92-85-3

95-77-2

95-54-5

8. Computerchemische Daten

Molecular Weight：146.998g/mol
Molecular Formula：C₆H₄Cl₂
Compound Is Canonicalized：True
XLogP3-AA：145.9690055
Monoisotopic Mass：145.9690055
Complexity：62.9
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：：8
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：AAADcYBgAAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAIAAAAACAKAECAwAIAAAACAACBCAAACAAAgBQAIikAAAogIICKBExCAIAAggAAIiAcAAAAAAAAAAAAAAAQAAAAAAAAACAAAAAAAAA==

9.Weitere Informationen

Merck: 14,3056

EPA Substance Registry System: Benzol, 1,2-Dichlor- (95-50-1)

NIST Chemie Referenz: Benzol, 1,2-Dichlor- (95-50-1)

BRN: 606078

10. Toltal 32 Lieferanten Mehr anzeigen

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11. Verwandte Fragen

: How to Improve the Production of 1,2-Dichlorobenzene?Background Technology In traditional production of 1,2-Dichlorobenzene, the catalyst used is iron ring. However, the catalyst is a non-consumable in the process of producing 1,2-Dichlorobenzene. The t..; What is 1,2-Dichlorobenzene and how is it synthesized?1,2-Dichlorobenzene (also known as orthodichlorobenzene or ODCB) is a compound formed when two hydrogen atoms on the benzene ring are replaced by chlorine atoms. Its molecular formula is C6H4Cl2 and i..; What can 1,2-Dichlorobenzene be used for?1,2-Dichlorobenzene is an organic compound and a colorless volatile liquid that emits a pleasant aroma. It is insoluble in water but can dissolve in ethanol, ether, and many other organic solvents suc..; Is there a preliminary ruling on the anti-dumping investigation of imported 1,2-Dichlorobenzene from Japan and India?On October 8, 2018, the Ministry of Commerce issued Announcement No. 70 of 2018, announcing the preliminary ruling on the anti-dumping investigation of imported 1,2-Dichlorobenzene from Japan and Indi..

12. Realisierte Produktinformationen