기본 정보
- 표준 SMILES
CCCCC(=O)Cl- InChIKey
XGISHOFUAFNYQF-UHFFFAOYSA-N- 분자식
- C5H9ClO
- 평균 분자량
- 120.58 g/mol
- 단동위원소 질량
- 120.03419259
개요
Valeryl chloride appears as a colorless fuming liquid with a pungent odor. Fumes irritate the eyes and mucous membranes. Corrosive.
이름 및 식별자
- 우선 이름
- Valeryl chloride
- IUPAC
- pentanoyl chloride
- 현지명
- 펜타노일 클로라이드
- 영어명
- Valeryl chloride
- 분자식
- C5H9ClO
- 분자량
- 120.58
이름 및 동의어
Valeryl chloridePENTANOYL CHLORIDEValeroyl chloriden-pentanoyl chloridepentanoic acid chloriden-Valeroyl chlorideDTXSID2034091n-Butanecarbonyl chlorideKJ3B4CY5GGUN2502DTXCID0014091XGISHOFUAFNYQF-UHFFFAOYSA-
이름 더 보기
펜타노일 클로라이드N-VALERYL CHLORIDEvalerylVACLeroyLIs e chloride
UN 2502nPentanoyl chloridenButanecarbonyl chlorideRefChem:193560211-330-1InChI=1/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3XGISHOFUAFNYQF-UHFFFAOYSA-N638-29-9
데이터베이스 식별자
- CAS
638-29-9- PubChem CID
- 61186
- DTXSID
DTXSID2034091- ChEMBL
CHEMBL1607711- UNII
- KJ3B4CY5GG
- EC Number
- 211-330-1
- Nikkaji
- J36.576I
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 61.1
실험 및 물리화학적 성질
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Corrosives
SpringerMaterials PropertiesBoiling point
Physical Description
Valeryl chloride appears as a colorless fuming liquid with a pungent odor. Fumes irritate the eyes and mucous membranes. Corrosive.
Colorless fuming liquid with a pungent odor; [CAMEO] Colorless to pale yellow liquid with an acrid odor; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- -110 °C · -110 °C
- 끓는 점
- 125 · 125-127 °C(lit.)
- 밀도
- 1.016 g/mL · 1.016 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.42(lit.)
- 인화점
- 91 °F · 91 °F
- 저장 조건
- Flammables area
- 용해도
- 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
- 물리적 상태
- 액체
- 색상
- 무색투명~연황색
- 수용성
- 물에서 분해되다
- BRN
- 506293 · 506293
- 안정성
- 수분에 민감한
- InChI
- 1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
- InChIKey
- XGISHOFUAFNYQF-UHFFFAOYSA-N
- SMILES
- CCCCC(Cl)=O
- NIST
- Pentanoyl chloride(638-29-9)
- EPA
- Pentanoyl chloride (638-29-9)
화학적 성질
clear colorless to light yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 160 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Pentanoyl chloride
Status: Active Update: 10-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13405
Pentanoyl chloride: 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.)
Other Safety InformationIMAP assessments - Pentanoyl chloride: Human health tier I assessment
DOT LabelCorrosive Flammable Liquid
Fire Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
Hazards SummaryReacts with water evolving hydrochloric and valeric acids; Corrosive; Fumes cause eye and mucous membrane irritation; [CAMEO] Hydrolyzed by water; Causes burns; Harmful by ingestion and inhalation; [Alfa Aesar MSDS]
DOT ID and Guide2502 132
Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates
Reactivity AlertsHighly Flammable
Reactivity Profile
VALERYL CHLORIDE is acidic. Incompatible with water, with bases, including amines, and with strong oxidizing agents and alcohols. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Hazard Classification
Valeryl chloride
UN2502
Class 8 Corrosive material (49 eCFR § 173.136)
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Fumes in air. Reacts exothermically with water to generate hydrochloric and valeric acids, which are corrosive.
안전 및 보호
Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
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
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Isolation and Evacuation
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Emergency Response Planning Guidelines· Some of these materials may react violently with water.
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLC50 (rat) = 2,070 mg/m3/4hr
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- YV9107500
- ridadr
- UN 2502
- HS 번호
- 29159080
- risk_code
- 10-20-35-34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- II
- 위험 등급
- 8
- Hazard Classifications
- Acute Tox. 3 InhalationAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Met. Corr. 1Skin Corr. 1A
- 스토리지 클래스
- 3 - Flammable liquids
- 함량 및 규제정보
- 물질구분: 유독물질; 혼합물(제품)함량정보: 펜타노일 클로라이드 및 이를 25% 이상 함유한 혼합물
- 유해화학물질 필터링
- 2016-1-749 (신규화학물질)
화학 및 산업
용도 및 제조
UsesUsed to make large scale and fine chemicals; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationPentanoyl chloride: ACTIVE
응용 분야
용도Valeryl chloride is an intermediate for pharmaceuticals, agrochemicals, surfactants, fragrances, electronic chemicals.
일반 설명A colorless fuming liquid with a pungent odor. Flash point 74°F. Fumes irritate the eyes and mucous membranes. Corrosive.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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