기본 정보
- 표준 SMILES
CC(C)(C)OCl- InChIKey
IXZDIALLLMRYOU-UHFFFAOYSA-N- 분자식
- C4H9ClO
- 평균 분자량
- 108.57 g/mol
- 단동위원소 질량
- 108.03419259
개요
Tert-butyl hypochlorite appears as a slightly yellowish liquid with a pungent odor. Water insoluble. Corrosive to the skin, eyes, and mucous membranes.
이름 및 식별자
- 우선 이름
- Tert-Butyl hypochlorite
- IUPAC
- tert-butyl hypochlorite
- 현지명
- 터르트-부틸 하이포클로라이트
- 영어명
- tert-Butyl Hypochlorite
- 분자식
- C4H9ClO
- 분자량
- 108.57
이름 및 동의어
tert-BUTYL HYPOCHLORITEHypochlorous acid, 1,1-dimethylethyl esterUNII-LS2JTI16JZLS2JTI16JZEINECS 208-072-7DTXSID3074941TERT-BUTYL HYPOCHLORITE [MI]1,1-Dimethylethyl HypochloriteRefChem:188203DTXCID1040900HYPOCHLOROUS ACID, TERT-BUTYL ESTER208-072-7
이름 더 보기
터르트-부틸하이포클로라이트HypochLtert-C4H9OCltert-Butoxy chlorideorous Acid tert-ButyLtert-ButylHypochlorite>2-chlorosyl-2-methylpropane
507-40-4Hypochlorous Acid tert-Butyl Estert-Butyl hypochloritetert-butylhypochloritet-butoxy chlorot-butoxychloridetBuOClt-butyloxychloride
데이터베이스 식별자
- CAS
507-40-4- PubChem CID
- 521297
- DTXSID
DTXSID3074941- UNII
- LS2JTI16JZ
- EC Number
- 208-072-7
- Nikkaji
- J9.573G
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 37.3
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical shift
Physical DescriptionTert-butyl hypochlorite appears as a slightly yellowish liquid with a pungent odor. Water insoluble. Corrosive to the skin, eyes, and mucous membranes.
물리화학적 성질
- 끓는 점
- 79.6 ℃ · 79.6℃ (750 Torr)
- 밀도
- 0.96 · 0.96
- 굴절률
- 1.401 · 1.4010-1.4050
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
- 물리적 상태
- 기름
- 색상
- 연한 노란색에서 노란색까지
- Merck
- 14 · 14,1571
- 안정성
- 10 C · 불안정한. 감광성. 가연성이 높습니다. 강한 산화제와 호환되지 않습니다. 10C 이하로 냉장 보관하세요.
- InChI
- InChI=1S/C4H9ClO/c1-4(2,3)6-5/h1-3H3
- InChIKey
- IXZDIALLLMRYOU-UHFFFAOYSA-N
- SMILES
- ClOC(C)(C)C
- EPA
- 1 · Hypochlorous acid, 1,1-dimethylethyl ester (507-40-4)
화학적 성질
yellowish liquid with an irritating odour
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P220, P222, P231, P233, P240, P241, P242, P243, P260, P264, P271, P280, P283, P284, P301+P330+P331, P302+P335+P334, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P306+P360, P316, P321, P342+P316, P363, P370+P378, P371+P380+P375, P403, P403+P235, P405, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Hypochlorous acid, 1,1-dimethylethyl ester
Status: Active Update: 14-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27424
DOT LabelSpontaneously Combustible Corrosive
Fire Hazards
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
· Fire will produce irritating, corrosive and/or toxic gases.
DOT ID and Guide3255 135
Reactive GroupOxidizing Agents, Strong
Reactivity AlertsStrong Oxidizing Agent
Reactivity Profile
TERT-BUTYL HYPOCHLORITE decomposes exothermically when exposed to UV light to give acetone and chloromethane. Glass containers have burst because of pressure buildup after exposure to fluorescent lighting or daylight. Reacts violently with rubber. Should not be heated to its boiling point.
DOT Hazard Classification
tert-Butyl hypochlorite
UN3255
Div 4.2 Spontaneously combustible material (49 eCFR § 173.124)
Div 4.2 Spontaneously combustible material (49 eCFR § 173.124)
PG I: the degree of danger presented by the material is great
Air and Water ReactionsMay ignite on contact with air or moist air. May burn rapidly with flare-burning effect. Water insoluble. Decomposed exothermically by water with the evolution of toxic chlorine gas.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
안전 및 보호
Fire FightingExcerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
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 135 [Substances - Spontaneously Combustible]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Isolation and Evacuation
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Emergency Response Planning Guidelines· DO NOT USE WATER, CO2 OR FOAM ON MATERIAL ITSELF.
안전 데이터
- ridadr
- UN 3255
- HS 번호
- 29209090
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 포장분류
- I
- 위험 등급
- 4.2
화학 및 산업
응용 분야
용도Dehydration of alcohols; N- and C-chlorinations.
일반 설명A slightly yellowish liquid with a pungent odor. Water insoluble. Flash point near 0°F. Corrosive to the skin, eyes, and mucous membranes.
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