1,3-Dichloro-2-propanol

Identifikatoren & physikalische Daten

CAS No.	26545-73-3
Summenformel	C3H6Cl2O
Durchschnittliche Molmasse	128,98 g/mol
Monoisotopische Masse	127,97957017 g/mol
SMILES	OC(CCl)CCl
InChIKey	DEWLEGDTCGBNGU-UHFFFAOYSA-N
PubChem CID	7289
ChEMBL	CHEMBL468581
ChEBI	CHEBI:18917
EC No.	202-491-9
DTXSID	DTXSID6025010

Chemische & physikalische Eigenschaften

XLogP	0,8
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	6
Formalladung	0
Komplexität	28
Stoffklassen	Other Classes -> Halogenated Alcohols
SpringerMaterials Properties	Boiling point
LogP (Verteilungskoeffizient)	0.78
Geruch	ETHEREAL ODOR
Dichte	1.3506 at 63 °F (NTP, 1992) - Denser than waterwill sink1.3506 @ 17 °C/4 °CRelative density (water = 1): 1.351.367 @ 20°C1.3506 g/cm3(Temp: 17 °C)
Color/Form	COLORLESS, SLIGHTLY VISCOUS, LIQUID
Löslichkeit	greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)MISCIBLE WITH ALC, ETHERSOL ETHANOL, ETHER, ACETONEMISCIBLE WITH MOST ORGANIC SOLVENTS, VEGETABLE OILSIn water, 9.9X10+4 mg/l at 25 °C.Solubility in water, g/100ml at 20 °C: 11
Flammpunkt	165 °F (NTP, 1992)74 °C165 °F (74 °C) (OPEN CUP)74 °C o.c.
Siedepunkt	345 °F at 760 mmHg (NTP, 1992)174.3 °C @ 760 MM HG174 °C @760 [mm Hg]
Decomposition	Dangerouswhen heated to decomposition it emits highly toxic fumes of /hydrogen chloride/ and phosgene.
Schmelzpunkt	25 °F (NTP, 1992)-4 °C
Dampfdichte	4.45 (NTP, 1992) - Heavier than airwill sink (Relative to Air)4.4 (AIR= 1)Relative vapor density (air = 1): 4.4
pKa (Säurekonstante)	12.87±0.20(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P264, P270, P280, P301+P316, P302+P352, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)H301+H311 (75.6%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oralacute toxicity, dermal]P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P318, P319, P320, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Regulatorische Informationen	Chemical: 2-Propanol, 1,3-dichloro-Hazard Traits - Carcinogenicity2-Propanol, 1,3-dichloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1,3-dichloro- 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: 10-03-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/124501,3-Dichloro-2-propanol: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	IMAP assessments - 2-Propanol, 1,3-dichloro-: Environment tier I assessment
DOT-Kennzeichnung	Poison
Brandgefahren	This chemical is combustible. (NTP, 1992)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily.
Brandpotenzial	Flammable when exposed to heat, flame, or oxidizers.
Gesundheitsgefahren	SYMPTOMS: Symptoms of exposure to this compound include hemorrhagic gastritis and pharyngitis. Other symptoms include headache, vertigo, nausea, vomiting, pulmonary edema and liver damage.Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· TOXIC and/or CORROSIVE