기본 정보
- 표준 SMILES
CC(C)(C)N=C=O- InChIKey
MGOLNIXAPIAKFM-UHFFFAOYSA-N- 분자식
- C5H9NO
- 평균 분자량
- 99.13 g/mol
- 단동위원소 질량
- 99.06841391
개요
Tert-butyl isocyanate appears as a clear colorless liquid with a pungent odor. Very toxic by ingestion, may also be toxic by skin absorption and inhalation. Vapors heavier than air. Less dense than water and insoluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.
이름 및 식별자
- 우선 이름
- tert-Butyl isocyanate
- IUPAC
- 2-isocyanato-2-methylpropane
- 현지명
- 삼차-뷰틸 아이소시아네이트
- 영어명
- tert-Butylisocyanate
- 분자식
- C5H9NO
- 분자량
- 99.13
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1609-86-5- PubChem CID
- 62412
- DTXSID
DTXSID6061818- UNII
- 2RHQ1BS36D
- EC Number
- 216-544-9
- Nikkaji
- J68.769C
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 29.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 95.1
실험 및 물리화학적 성질
Chemical Classes
Toxic Gases & Vapors -> Monoisocyanates
Flammable agents - 3rd degree
Physical Description
Tert-butyl isocyanate appears as a clear colorless liquid with a pungent odor. Very toxic by ingestion, may also be toxic by skin absorption and inhalation. Vapors heavier than air. Less dense than water and insoluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.
Colorless liquid with a pungent odor; [CAMEO]
물리화학적 성질
- 녹는점
- 85.5 °C · 85.5°C
- 끓는 점
- 85 · 85-86 °C(lit.)
- 밀도
- 0.868 g/mL · 0.868 g/mL at 25 °C(lit.)
- 증기압
- 79 hPa · 79hPa at 20℃
- 굴절률
- 20 · n20/D 1.386(lit.)
- 인화점
- 24 °F · 24 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(에 용해됨), DMSO(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- 무색의
- 수용성
- 1000 g/L · 1000g/L at 25℃
- BRN
- 969479 · 969479
- 안정성
- 흡습성, 수분 민감성
- LogP
- 0.4 · 0.4
- NIST
- 2 · Propane, 2-isocyanato-2-methyl-(1609-86-5)
- EPA
- tert-Butyl isocyanate (1609-86-5)
화학적 성질
Clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (98.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P333+P317, P342+P316, P362+P364, P363, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 194 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Active Update: 03-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/12810
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.
Reactivity Profile
TERT-BUTYL ISOCYANATE can react exothermically with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizing agents, hydrides, phenols, and peroxides. May undergo polymerization with acids and bases. May react with water to form tert-butylamine and carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence [Wischmeyer 1969].
DOT Hazard Classification
tert-Butyl isocyanate
UN2484
Div 6.1 Poisonous materials (49 eCFR § 173.132)
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG I: the degree of danger presented by the material is great
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
Small spill:
Small spill:
Protective Action Criteria (PAC)
1.1 [mg/m3]
12 [mg/m3]
70 [mg/m3]
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2484
- HS 번호
- 29291090
- risk_code
- 11-14-22-26-34-37-42-36/37/38-23/24/25-10
- hazard_code
- F,T+,T
- safety_code
- 16-26-36/37/39-45-43-30-7/9
- 포장분류
- I
- 위험 등급
- 6.1
- 기존화학 물질
- 2003-3-2510
- F 고인화성물질
- 10-21
- 함량 및 규제정보
- 물질구분: 유독물질; 혼합물(제품)함량정보: 이소시안산 tert-부틸 및 이를 25% 이상 함유한 혼합물
- 유해화학물질 필터링
- 2018-1-814
화학 및 산업
용도 및 제조
응용 분야
일반 설명A clear colorless liquid with a pungent odor. Flash point 68°F. Very toxic by ingestion, may also be toxic by skin absorption and inhalation. Vapors heavier than air. Less dense than water and insoluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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