3-Chloro-1-propanol

Propanol, chloro- · CHLOROPROPANOL, MIXED ISOMERS

https://huagongshe.com/en/chemical/12313

Identifiers & Physical Properties

CAS No.	28064-81-5
Molecular formula	C3H7ClO
Average molar mass	94.54 g/mol
Monoisotopic mass	94.01854252 g/mol
SMILES	OCCCCl
InChIKey	LAMUXTNQCICZQX-UHFFFAOYSA-N
PubChem CID	12313
ChEMBL	CHEMBL1230102
EC No.	210-992-9
DTXSID	DTXSID9024809

Chemical & Physical Properties

XLogP	0.5
Topological polar surface area	20.2
Hydrogen bond donors	1
Hydrogen bond acceptors	1
Rotatable bonds	2
Heavy atoms	5
Formal charge	0
Complexity	16.4
Chemical classes	Other Classes -> Halogenated AlcoholsFlammable agents - 2nd degree
SpringerMaterials Properties	Coriolis coupling
Density	1.13 to 1.15 at 68 °F (NTP, 1992)1.309 @ 20°C
Solubility	50 to 100 mg/mL at 73 °F (NTP, 1992)
Flash point	164 °F (NTP, 1992)
Boiling point	320 to 329 °F at 760 mmHg (NTP, 1992)165 °C @760 [mm Hg]
Vapor pressure	1.2 [mmHg]
Physical Description	3-chloropropanol-1 appears as a colorless liquid with a mild odor. Slightly denser than water. Toxic by ingestion and inhalation. Flash point 270 °F. Used to make plastics, resins and other chemicals.[CAMEO]
EPA Substance Registry System	2-Chloropropanol (28064-81-5)

Safety & Regulations

GHS classification	This chemical does not meet GHS hazard criteria for 38.6% (59 of 153) of reports.WarningH302 (22.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 153 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory information	Chemical: 1-Propanol, 3-chloro-Status: Active Update: 20-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/223213-Chloro-1-propanol: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT label	Poison
Fire hazards	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily.
Health hazards	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death.
Hazards summary	Causes muscle contraction or spasticity, ulceration of the stomach, and other liver changes in oral lethal-dose studies of mice[RTECS] May cause skin, eye, and nasal irritationOther symptoms may include vomiting, giddiness, dizziness, incoordination, visual disturbances, and comaMay be absorbed through skin[NTP] An irritantHarmful by ingestion[Alfa Aesar MSDS] See 1-Chloro-2-propanol.
DOT ID and guide	2849 153
Reactive group

Applications & Uses

General Description

A colorless liquid with a mild odor. Boils at 261.5°F. Flash point 125°F. Density 1.11 g / cm3. Toxic upon prolonged exposure to low concentrations of the vapor or to short exposure to high concentrations of the vapor by inhalation. Used in the manufacture of various organic chemicals.