기본 정보
- CAS
513-48-4- 표준 SMILES
CCC(C)I- InChIKey
IQRUSQUYPCHEKN-UHFFFAOYSA-N- 분자식
- C4H9I
- 평균 분자량
- 184.02 g/mol
- 단동위원소 질량
- 183.97489829
개요
2-iodobutane appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals and as a solvent.
이름 및 식별자
- 우선 이름
- 2-Iodobutane
- IUPAC
- 2-iodobutane
- 현지명
- 2-아이도부탄
- 영어명
- 2-Iodobutane
- 분자식
- C4H9I
- 분자량
- 184.02
이름 및 동의어
2-IODOBUTANEsec-Butyl iodideButane, 2-iodo-NSC 8422EINECS 208-163-1UN2390UNII-4302E40S4NBRN 17187774302E40S4Nsec-C4H9INSC-84222-01-00-00086 (Beilstein Handbook Reference)
이름 더 보기
2-아이도부탄2-요오도부탄2-Iodbutan2-Jodbutan2-iodo-butan2-Butyliodidebutane,2-iodo-S-BUTYL IODIDE2-Butyl Iodidesec-Iodobutane
IQRUSQUYPCHEKN-UHFFFAOYSA-DTXSID40858729SEC-BUTYL IODIDE DL-FORM [MI]UN 2390secIodobutane2iodobutane2Jodbutan2Butyl iodide
데이터베이스 식별자
- CAS
513-48-4- PubChem CID
- 10559
- DTXSID
DTXSID40858729- UNII
- 4302E40S4N
- EC Number
- 208-163-1
- Nikkaji
- J2.621B
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 19.6
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Halogenated Aliphatics, Saturated
Flammable agents - 3rd degree
Vapor Pressure17.1 [mmHg]
Physical Description
2-iodobutane appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals and as a solvent.
Colorless liquid with an ether-like odor; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- -104 °C · -104 °C (lit.)
- 끓는 점
- 119 · 119-120 °C (lit.)
- 밀도
- 1.598 g/mL · 1.598 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.499(lit.)
- 인화점
- 75 °F · 75 °F
- 저장 조건
- Flammables area
- 용해도
- 알코올에 용해됨(lit.)
- 물리적 상태
- 투명한 액체
- 색상
- Colorless to Red to Green
- 수용성
- 물에 불용성. 알코올과 디에틸에테르에 용해됩니다.
- Merck
- 14 · 14,1574
- BRN
- 1718777 · 1718777
- Henry's Law Constant
- 5 · 5.0×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- 안정성
- 안정적인. 가연성. 강한 산화제와 호환되지 않습니다. 빛에 민감합니다.
- InChI
- 1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3
- InChIKey
- IQRUSQUYPCHEKN-UHFFFAOYSA-N
- SMILES
- CCC(C)I
- NIST
- 2 · Butane, 2-iodo-(513-48-4)
- EPA
- 2 · Butane, 2-iodo- (513-48-4)
화학적 성질
liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (11.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
2-Iodobutane: 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 LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Isopropyl iodide. See 2-Bromobutane.
DOT ID and Guide2390 129
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity Profile
Halogenated aliphatic compounds, such as 2-IODOBUTANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Low molecular weight haloalkanes are highly flammable and can react with some metals to form dangerous products. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
DOT Hazard Classification
2-Iodobutane
UN2390
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Slightly soluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (11.4%)
Flammable agents - 3rd degree, Reactive agents - 2nd degree
안전 및 보호
Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
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 129 [Flammable Liquids (Water-Miscible / Noxious)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- EK4410000
- ridadr
- UN 2390
- HS 번호
- 29033080
- risk_code
- 10-36/37/38
- hazard_code
- Xi,F
- safety_code
- 26-36
- 포장분류
- II
- 위험 등급
- 3
- F 고인화성물질
- 8
- 위험 참고 사항
- Irritant/Flammable/Light Sensitive
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
UsesUsed as a solvent and to make other chemicals; [CAMEO]
General Manufacturing InformationButane, 2-iodo-: ACTIVE
응용 분야
용도It is used as a solvent organic synthesis and as pharmaceutical intermediate.
일반 설명2-iodobutane is a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals and as a solvent.
공급사65 곳
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