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클로로프로판올,혼합이성질체

3-Chloro-1-propanol

HCID 12313
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
28064-81-5
표준 SMILES
OCCCCl
InChIKey
LAMUXTNQCICZQX-UHFFFAOYSA-N
분자식
C3H7ClO
평균 분자량
94.54 g/mol
단동위원소 질량
94.0185425

개요

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.

이름 및 식별자

우선 이름
3-Chloro-1-propanol
IUPAC
3-chloropropan-1-ol
현지명
클로로프로판올,혼합이성질체
영어명
Chloropropanol, mixed isomers
분자식
C3H7ClO
분자량
94.54

이름 및 동의어

3-CHLORO-1-PROPANOL3-Chloropropan-1-ol627-30-5Trimethylene chlorohydrin1-Chloro-3-hydroxypropane1-Propanol, 3-chloro-DTXSID9024809NSC-60190DTXCID604809148011U61GRefChem:499643210-992-9
이름 더 보기
클로로프로판올,혼합이성질체Propanol, chloro-Chloropropanol, mixed isomers
3-Chloropropanol3-chloro-propan-1-ol3-Chloro-l-propanol3-Chlorpropan-1-ol1-Chloro-3-propanolMFCD00002943NSC 601903-Chloropropanol-1

데이터베이스 식별자

CAS
28064-81-5、627-30-5
PubChem CID
12313
DTXSID
DTXSID9024809
ChEMBL
CHEMBL1230102
UNII
148011U61G
EC Number
210-992-9
Nikkaji
J3.014G

물성

구조 계산 물성

XLogP
0.5
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
5
형식 전하
0
복잡도
16.4

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Halogenated Alcohols

Flammable agents - 2nd degree

SpringerMaterials PropertiesCoriolis coupling
LogP0.5
Density · 2건

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 · 2건

320 to 329 °F at 760 mmHg (NTP, 1992)

165 °C @760 [mm Hg]

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

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]

물리화학적 성질

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 4건

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 · 2건

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

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

Health Hazards · 2건

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 · 1건

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.

화학 및 산업

용도 및 제조

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
응용 분야 · 1건

일반 설명A 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.

관련 반응

272건
반응 기록 만들기
HRID 13694 반응식
HRID 13694반응물로uspto-grants-2010_06
HRID 19943 반응식
HRID 19943반응물로uspto-grants-2010_06
HRID 22358 반응식
HRID 22358반응물로uspto-grants-1995_06
HRID 22359 반응식
HRID 22359반응물로uspto-grants-1995_06
HRID 37052 반응식
HRID 37052반응물로uspto-grants-1995_05
HRID 40797 반응식
HRID 40797반응물로uspto-grants-2013_09
HRID 43298 반응식
HRID 43298반응물로uspto-grants-2013_09
HRID 52110 반응식
HRID 52110반응물로uspto-grants-1997_04
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EPA
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 · 4건

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 · 2건

Acute Tox. 4 (22.9%)

Flammable agents - 2nd degree

안전 및 보호

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

· 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 · 2건

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 · 2건

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

Immediate precautionary measure

Protective Action Criteria (PAC) · 3건

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

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome