기본 정보
- 표준 SMILES
C=CCI- InChIKey
HFEHLDPGIKPNKL-UHFFFAOYSA-N- 분자식
- C3H5I
- 평균 분자량
- 167.98 g/mol
- 단동위원소 질량
- 167.94359816
개요
Allyl iodide appears as a yellow liquid with a pungent odor. Denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. Very irritating to skin, eyes and mucous membranes. Poisonous by ingestion and inhalation. Used to make other chemicals.
이름 및 식별자
- 우선 이름
- Allyl iodide
- IUPAC
- 3-iodoprop-1-ene
- 현지명
- 알릴요오다이드
- 영어명
- ALLYL IODIDE
- 분자식
- C3H5I
- 분자량
- 167.98
이름 및 동의어
ALLYL IODIDE556-56-93-Iodo-1-propene3-Iodopropene1-Propene, 3-iodo-3-IodopropylenePropene, 3-iodo-UN1723EINECS 209-130-4NSC 18588UNII-46830QOA4DBRN 1697594
이름 더 보기
알릴아이오다아이드3-요오드프로펜알릴요오다이드알릴이오다이드알릴 아이오다아이드요오드화합금AllyljodidAllyliodid3-Jodpropen3-Iodpropen3-iodo-propen3-Jod-1-propen
46830QOA4D2-Propene, 1-iodoCH2CHCH2INSC-18588ALLYL IODIDE [MI]4-01-00-00761 (Beilstein Handbook Reference)DTXSID5060302UN 1723
데이터베이스 식별자
- CAS
556-56-9- PubChem CID
- 11166
- DTXSID
DTXSID5060302- UNII
- 46830QOA4D
- EC Number
- 209-130-4
- Nikkaji
- J2.661A
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 4
- 형식 전하
- 0
- 복잡도
- 17.2
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Halogenated Aliphatics, Unsaturated
Corrosives
SpringerMaterials PropertiesSchoenflies notation
Physical Description
Allyl iodide appears as a yellow liquid with a pungent odor. Denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. Very irritating to skin, eyes and mucous membranes. Poisonous by ingestion and inhalation. Used to make other chemicals.
Yellowish liquid with a pungent unpleasant odor; Darkened by light and air evolving iodine; [Merck Index] Clear dark red liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- -99 °C · -99 °C
- 끓는 점
- 102103 °C · 102103°C
- 밀도
- 1.837 g/mL · 1.837 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.554
- 인화점
- 65 °F · 65 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 알코올: 혼화성(lit.)
- 물리적 상태
- 액체
- 색상
- 투명한 노란색에서 주황색, 빨간색 또는 적갈색
- 수용성
- 알코올, 클로로포름, 에테르 및 디에틸 에테르에 용해됩니다. 물에 불용성.
- Merck
- 14 · 14,294
- BRN
- 1697594 · 1697594
- Henry's Law Constant
- 3.8 · 3.8×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- Dielectric constant
- 6.1 · 6.1(19℃)
- InChI
- 1S/C3H5I/c1-2-3-4/h2H,1,3H2
- InChIKey
- HFEHLDPGIKPNKL-UHFFFAOYSA-N
- SMILES
- ICC=C
- EPA
- 1 · 1-Propene, 3-iodo- (556-56-9)
화학적 성질
clear orange, red or red-brown liquid
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, 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)
유해성 정보
Regulatory Information
Chemical: 1-Propene, 3-iodo-
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 Corrosive
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 Summary
Causes general anesthesia, cyanosis, and changes in the structure or function of salivary glands in oral lethal-dose studies of rats; [RTECS] Corrosive and flammable; [Merck Index] A strong skin, eye, and mucous membrane irritant; [CAMEO] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Highly toxic by ingestion; Readily absorbed through skin; [Sigma-Aldrich MSDS] See Allyl bromide. See 2,3-Dichloro-1-propene. See Iodine for the TLV of Iodides.
DOT ID and Guide1723 132
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity ProfileALLYL IODIDE is moderately reactive. Incompatible with strong oxidizing and reducing agents. Also, incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
DOT Hazard Classification
Allyl iodide
UN1723
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
Air and Water ReactionsHighly flammable. Darkens on exposure to light and air liberating Iodine [Merck 11th ed. 1989]. Insoluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Corrosives, Flammable agents - 3rd degree
Flam. Liq. 2
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.
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UD0450000
- ridadr
- UN 1723
- HS 번호
- 29033990
- risk_code
- 10-34-11
- hazard_code
- C,T,F
- safety_code
- 7-26-45-16
- 포장분류
- II
- 위험 등급
- 3
- F 고인화성물질
- 8-13
- Hazard Classifications
- Acute Tox. 2 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
UsesUsed to make other chemicals; [CAMEO]
General Manufacturing Information1-Propene, 3-iodo-: ACTIVE
응용 분야
용도Allyl iodide is used as a reagent used with allylindium sesquiiodide in the cis-double allylation of cyclopropenes. It is used in synthesis of other organic compounds such as N-alkyl 2-pyrrolidone, Sorbic acid ester etc,.
일반 설명A yellow liquid with a pungent odor. Denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. Flash point is less than 75°F. Very irritating to skin, eyes and mucous membranes. Poisonous by ingestion and inhalation. Used to make other chemicals.
상·하류 제품 정보
상류 원료
하류 제품
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