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クロロプロパノール

3-Chloro-1-propanol

HCID 12313
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
28064-81-5
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
94.0185425

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

3-CHLORO-1-PROPANOL3-Chloropropan-1-ol627-30-5Trimethylene chlorohydrin1-Chloro-3-hydroxypropane1-Propanol, 3-chloro-DTXSID9024809NSC-60190DTXCID604809148011U61GRefChem:499643210-992-9
名称をさらに表示
クロロプロパノールPropanol, chloro-Chloropropanol, mixed isomers
3-Chloropropanol3-chloro-propan-1-ol3-Chloro-l-propanol3-Chlorpropan-1-ol1-Chloro-3-propanolMFCD00002943NSC 601903-Chloropropanol-1

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 · 2 件

Other Classes -> Halogenated Alcohols

Flammable agents - 2nd degree

SpringerMaterials PropertiesCoriolis coupling
LogP0.5
Density · 2 件

1.13 to 1.15 at 68 °F (NTP, 1992)

1.309 @ 20°C

Solubility50 to 100 mg/mL at 73 °F (NTP, 1992)
Flash Point164 °F (NTP, 1992)
Boiling Point · 2 件

320 to 329 °F at 760 mmHg (NTP, 1992)

165 °C @760 [mm Hg]

Vapor Pressure1.2 [mmHg]
Physical Description · 2 件

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

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

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 · 4 件

Chemical: 1-Propanol, 3-chloro-

REACH registered substance: 3-chloropropan-1-ol (EC: 210-992-9)

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.)

DOT LabelPoison
Fire Hazards · 2 件

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· Combustible material: may burn but does not ignite readily.

Health Hazards · 2 件

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 · 1 件

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.

化学と産業

用途と製造

UsesUsed to make plastics, resins, and other chemicals; [CAMEO] Used as an intermediate in organic synthesis; [NTP] An inhibitor of triosephosphate isomerase and glyceraldehyde 3-phosphate dehydrogenase. [ChemIDplus]
General Manufacturing Information1-Propanol, 3-chloro-: ACTIVE
応用分野 · 1 件

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.

関連反応

272 件
反応記録を作成
HRID 13694 の反応式
HRID 13694反応物としてuspto-grants-2010_06
HRID 19943 の反応式
HRID 19943反応物としてuspto-grants-2010_06
HRID 22358 の反応式
HRID 22358反応物としてuspto-grants-1995_06
HRID 22359 の反応式
HRID 22359反応物としてuspto-grants-1995_06
HRID 37052 の反応式
HRID 37052反応物としてuspto-grants-1995_05
HRID 40797 の反応式
HRID 40797反応物としてuspto-grants-2013_09
HRID 43298 の反応式
HRID 43298反応物としてuspto-grants-2013_09
HRID 52110 の反応式
HRID 52110反応物としてuspto-grants-1997_04
1 / 34 ページ

化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
EPAの化学物質情報
2 · 2-Chloropropanol (28064-81-5)
DOT ID and Guide2849 153
Reactive GroupAlcohols and Polyols
Reactivity Profile3-CHLOROPROPANOL-1 may be sensitive to prolonged exposure to light. This compound may react with oxidizing agents. (NTP, 1992).
DOT Hazard Classification · 4 件

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

Air and Water ReactionsModerately soluble in water.
Hazard Classes and Categories · 2 件

Acute Tox. 4 (22.9%)

Flammable agents - 2nd degree

安全と保護具

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Accidental Release Measures · 2 件

· 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 · 2 件

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:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and Evacuation · 2 件

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Immediate precautionary measure

Protective Action Criteria (PAC) · 3 件

6.0 [mg/m3]

41 [mg/m3]

250 [mg/m3]

Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Emergency Response Planning GuidelinesSmall Fire

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome