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HCID 11906Erstellt: 26. Oktober 2026

α,2-Dichlortoluol

O-CHLOROBENZYL CHLORIDE · OCBC · O-chlorobenzyl · AKOS BBS-00004019 · ,2-Dichlorotoluene · A,O-DICHLOROTOLUENE · o,α-Dichlorotoluene · à,2-dichlorotoluene

https://huagongshe.com/de/chemical/11906

Molekülstruktur von α,2-Dichlortoluol

Identifikatoren & physikalische Daten

CAS No.40795-52-6
SummenformelC7H6Cl2
Durchschnittliche Molmasse161,03 g/mol
Monoisotopische Masse159,98465555 g/mol
SMILESClCc1ccccc1Cl
InChIKeyBASMANVIUSSIIM-UHFFFAOYSA-N
PubChem CID11906
ChEMBLCHEMBL3187054
EC No.210-258-8
DTXSIDDTXSID3027241
Lokaler Nameα,2-Dichlortoluol

Chemische & physikalische Eigenschaften

XLogP3,2
Polarare Oberfläche (TPSA)0
H-Brücken-Donoren0
H-Brücken-Akzeptoren0
Frei drehbare Bindungen1
Schwere Atome9
Formalladung0
Komplexität83
StoffklassenOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesDensity
LogP (Verteilungskoeffizient)3.32
Dichte1.3 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.001.274 g/mL at 25 °C (lit.)
Viscosity1.95 mm²/s at 20 °C
LöslichkeitSolubility in water, g/100ml at 25 °C: 0.01 (very poor)insoluble
Flammpunkt91 °C180 °F
Siedepunkt213 °C213-214 °C (lit.)
Schmelzpunkt-17 °C-13 °C
DampfdichteRelative vapor density (air = 1): 5.55.5 (vs air)
Dampfdruck0.15 [mmHg]Vapor pressure, kPa at 25 °C: 0.023 mm Hg ( 84 °C)
Physical DescriptionLiquidClear, colorless liquid with a pungent odor[OECD SIDS: Benzene, 1-chloro-2-(chloromethyl)- - 2003]COLOURLESS LIQUID WITH PUNGENT ODOUR.
Brechungsindexn20/D 1.559(lit.)
Lagerbedingungen2-8°C
AggregatzustandLiquid
FarbeClear colorless to slightly yellow
Explosionsgrenze1.5-7.8%(V)
BRN471700
Henry-Konstante6.4×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI1S/C7H6Cl2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKeyBASMANVIUSSIIM-UHFFFAOYSA-N
SMILESClCc1ccccc1Cl
LogP (Verteilungskoeffizient)3.32 at 25℃ and pH6.4
CAS Datenbank611-19-8(CAS DataBase Reference)
NIST chemische InformationenBenzene, 1-chloro-2-(chloromethyl)-(611-19-8)
EPA chemische Informationen2-Chlorobenzyl chloride (611-19-8)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 0.5% (1 of 189) of reports.DangerH302+H312+H332 (75.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 189 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenChemical: Benzene, 1-chloro-2-(chloromethyl)-Benzene, 1-chloro-2-(chloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-chloro-2-(chloromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 22-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/139262-Chlorobenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard
BrandgefahrenCombustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 91 °C explosive vapour/air mixtures may be formed.
GefahrenübersichtA skin, eye, and respiratory tract irritantCan be absorbed through skin[ICSC] Reacts slowly with water producing hydrogen chloride[CAMEO] Irritating but not corrosive to skin of rabbitsNo reliable skin sensitization data available[OECD SIDS: Benzene, 1-chloro-2-(chloromethyl)- - 2003] Causes burnsA lachrymatorInhalation may cause corrosive injuries to upper respiratory tract and lungsToxic by inhalationHarmful by ingestion and skin absorption[Alfa Aesar MSDS] See Chlorobenzyl chlorides.
UN-EinstufungUN Hazard Class: 6.1UN Pack Group: III
Chemical DangersDecomposes on burning. This produces hydrogen chloride.
Packaging and LabellingDo not transport with food and feedstuffs. Marine pollutant.
Hazard Classes and CategoriesAcute Tox. 4 (78.8%)Acute toxicity (Oral) - Category 4
Explosive Limits and PotentialExplosive limits , vol% in air: 2.0-8.6
BrandbekämpfungUse foam, water spray, dry powder, carbon dioxide.
Erste-Hilfe-MaßnahmenFresh air, rest. Seek medical attention if you feel unwell.Rinse and then wash skin with water and soap. Refer for medical attention if skin irritation occurs.Rinse with plenty of water (remove contact lenses if easily possible).Rinse mouth. Do NOT induce vomiting. Refer for medical attention if you fell unwell.
Sichere LagerungVentilation along the floor. Store only in original container. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.
Expositionsschutz und Persönliche Schutzausrüstung5.0 [ppm]
Verschüttetes entsorgenPersonal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable plastic containers. Carefully collect remainder. Then store and dispose of according to local regulations.
Eye PreventionWear safety spectacles.
Fire PreventionNO open flames. Above 91 °C use a closed system and ventilation.
Inhalation RiskA harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °Con spraying or dispersing, however, much faster.
Skin PreventionProtective gloves.
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation or local exhaust.
Effects of Short Term ExposureThe substance is irritating to the eyes, skin and respiratory tract.
Unerwünschte WirkungenDermatotoxin - Skin burns.
ExpositionspfadeThe substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion.
Signs and SymptomsCough.Redness.Redness. Pain.Sore throat.
ICSC Environmental DataThe substance is very toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment.
Toxicity DataLC50 (rat) > 2,800 mg/m3
F19-21
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 2235 6.1/PG 3
Zollcode29036990
RTECS-Nr.CZ0195000
R-Sätze (R)34-43-50/53-20/21/22
GefahrensymboleC,N
Sicherheitshinweise (S)26-36/37/39-45-29
Gefahrenklasse6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
VerpackungsgruppeIII
Lagerklasse6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects