基本情報
- 標準SMILES
OCCCCl- InChIKey
LAMUXTNQCICZQX-UHFFFAOYSA-N- 分子式
- C3H7ClO
- 平均分子量
- 94.54 g/mol
- 単同位体質量
- 94.01854252
概要
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.
名称と識別子
- 優先名称
- 3-Chloro-1-propanol
- IUPAC
- 3-chloropropan-1-ol
- 現地名
- クロロプロパノール
- 英語名
- CHLOROPROPANOL, MIXED ISOMERS
- 分子式
- C3H7ClO
- 分子量
- 94.54
名称と別名
名称をさらに表示
データベース識別子
- CAS
28064-81-5、627-30-5- PubChem CID
- 12313
- DTXSID
DTXSID9024809- ChEMBL
CHEMBL1230102- UNII
- 148011U61G
- EC Number
- 210-992-9
- Nikkaji
- J3.014G
物性
構造計算による物性
- XLogP
- 0.5
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 5
- 形式電荷
- 0
- 複雑度
- 16.4
実験および物理化学的性質
Chemical Classes
Other Classes -> Halogenated Alcohols
Flammable agents - 2nd degree
Density
1.13 to 1.15 at 68 °F (NTP, 1992)
1.309 @ 20°C
Boiling Point
320 to 329 °F at 760 mmHg (NTP, 1992)
165 °C @760 [mm Hg]
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.
Colorless liquid; [CAMEO]
物理化学的性質
- EPAの化学物質情報
- 2 · 2-Chloropropanol (28064-81-5)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 38.6% (59 of 153) of reports.
Warning
H302 (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.
危険有害性情報
Regulatory Information
Chemical: 1-Propanol, 3-chloro-
Status: Active Update: 20-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22321
3-Chloro-1-propanol: Does not have an individual approval but may be used under an appropriate group standard
The 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.)
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 CORROSIVE; inhalation, 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 irritation; Other symptoms may include vomiting, giddiness, dizziness, incoordination, visual disturbances, and coma; May be absorbed through skin; [NTP] An irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 1-Chloro-2-propanol.
DOT Hazard Classification
3-Chloropropanol-1
UN2849
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG III: the degree of danger presented by the material is minor
Hazard Classes and Categories
Acute Tox. 4 (22.9%)
Flammable agents - 2nd degree
安全と保護具
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Immediate precautionary measure
Protective Action Criteria (PAC)
6.0 [mg/m3]
41 [mg/m3]
250 [mg/m3]
毒性情報
化学と産業
用途と製造
応用分野
一般的な説明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.
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