기본 정보
- 표준 SMILES
CC(C)C(=O)Cl- InChIKey
DGMOBVGABMBZSB-UHFFFAOYSA-N- 분자식
- C4H7ClO
- 평균 분자량
- 106.55 g/mol
- 단동위원소 질량
- 106.01854252
개요
Isobutyryl chloride appears as a colorless liquid. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
이름 및 식별자
- 우선 이름
- Isobutyryl chloride
- IUPAC
- 2-methylpropanoyl chloride
- 현지명
- 이소부티릴 클로라이드
- 영어명
- Isobutyryl chloride
- 분자식
- C4H7ClO
- 분자량
- 106.55
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
79-30-1- PubChem CID
- 62325
- DTXSID
DTXSID0052542- UNII
- 6617F0VJZC
- EC Number
- 201-194-1
- Nikkaji
- J3.839C
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 58.6
실험 및 물리화학적 성질
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Flammable agents - 3rd degree
Physical Description
Isobutyryl chloride appears as a colorless liquid. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
Liquid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- -90 °C · -90 °C (lit.)
- 끓는 점
- 91 · 91-93 °C (lit.)
- 밀도
- 1.017 g/mL · 1.017 g/mL at 25 °C (lit.)
- 증기압
- 0.07 mm · 0.07 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.407(lit.)
- 인화점
- 34 °F · 34 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 클로로포름, 빙초산, 에테르, 톨루엔, 염화메틸렌 및 벤젠과 혼합 가능합니다.
- 물리적 상태
- 액체
- 색상
- 투명한
- 냄새
- 고약한 냄새
- 수소이온지수(pH)
- 7 · <7 (H2O)
- 폭발한계
- 2.1 · 2.1-8.2%(V)
- 수용성
- 물과 반응
- BRN
- 605393 · 605393
- InChI
- 1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3
- InChIKey
- DGMOBVGABMBZSB-UHFFFAOYSA-N
- SMILES
- CC(C)C(Cl)=O
- NIST
- 2 · 2-Methylpropanoyl chloride(79-30-1)
- EPA
- 2 · Propanoyl chloride, 2-methyl- (79-30-1)
화학적 성질
Colorless liquid.Soluble in ether; reacts with water and alcohol.
안전 및 규제
GHS 분류
GHS Classification
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13467
Isobutyryl 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.)
Fire Hazards
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
A severe eye irritant; Causes focal lung fibrosis and acute pulmonary edema in inhalation lethal-concentration studies of rats; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Reactivity Profile
ISOBUTYRYL CHLORIDE is water reactive. Incompatible with strong oxidizing agents, alcohols, bases (including amines). 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
Isobutyryl chloride
UN2395
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
안전 및 보호
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 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
General First Aid:
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].
Isolation and Evacuation
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Immediate precautionary measure
When spilled in water
When spilled in water
독성 정보
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UC3944000
- ridadr
- UN 2395
- HS 번호
- 29159080
- risk_code
- 11-35-23
- hazard_code
- F,C,T
- safety_code
- 16-23-26-36-45-36/37/39-28A
- 포장분류
- II
- 위험 등급
- 3
- 기존화학 물질
- 98-3-989
- F 고인화성물질
- 13
- 위험 참고 사항
- Highly Flammable/Corrosive/Moisture Sensitive
- 자연 발화 온도
- 325 °C
- Hazard Classifications
- Flam. Liq. 2Skin Corr. 1A
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
응용 분야
용도Isobutyryl chloride is used in the preparation of fully isobutyramide terminated hyperbranched polyethylenimines. It plays an important role in the separation and identification of shikonin and its ester derivatives in the root epidermis of Echium italicum L. It acts as an acylating agent for the ketimine derivatives of alfa-amino esters, nucleosides and pyrroles. Further, it is used in the preparation of organic peroxides. In addition to this, it is used as an intermediate for dyes, textile auxiliaries and peroxide compounds.
일반 설명A colorless liquid. Flash point near 50°F. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
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