(Z)-2-메틸-2-부텐니트릴

cis-2-Methyl-2-butenenitrile

HCID 6028739

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 20068-02-4
표준 SMILES: C/C=C(/C)C#N
InChIKey: IHXNSHZBFXGOJM-HYXAFXHYSA-N
분자식: C5H7N
평균 분자량: 81.12 g/mol
단동위원소 질량: 81.05784922

이름 및 식별자

우선 이름: cis-2-Methyl-2-butenenitrile
IUPAC: (Z)-2-methylbut-2-enenitrile
현지명: (Z)-2-메틸-2-부텐니트릴
영어명: (Z)-2-methyl-2-butenenitrile
분자식: C5H7N
분자량: 81.12

이름 및 동의어

AngeliconitrileAngelic acid nitrilecis-2-Methyl-2-butenenitrilecis-2-Methyl-2-butenonitrileangelonitrile2-Butenenitrile, 2-methyl-, (Z)-2-Methyl-cis-2-butenenitrile20068-02-42-Butenenitrile, 2-methyl-, (2Z)-Crotononitrile, 2-methyl-, (Z)-HSDB 6156RKI9CB99KR

이름 더 보기

(Z)-2-메틸-2-부텐니트릴(Z)-2-methyl-2-butenenitrile

EINECS 243-496-6DTXSID5027807HSDB-6156METHYL-2-BUTENENITRILE, (2Z)-(2Z)-2-Methyl-2-butenenitrile2Methylcis2butenenitrilecis2Methyl2butenonitrileRefChem:577315

데이터베이스 식별자

CAS: 20068-02-4
PubChem CID: 6028739
DTXSID: DTXSID5027807
ChEMBL: CHEMBL1884429
UNII: RKI9CB99KR
EC Number: 243-496-6
Nikkaji: J280.434D

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 102

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitriles

SpringerMaterials PropertiesBoiling point

물리화학적 성질

끓는 점: 121 · 121-122 °C(Press: 772 Torr)
밀도: 0.81968 g/cm3 · 0.81968 g/cm3
EPA: -2 · cis-2-Methyl-2-butenenitrile (20068-02-4)

안전 및 규제

유해성 정보

Regulatory InformationChemical: 2-Butenenitrile, 2-methyl-, (Z)-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

DOT LabelFlammable Liquid Poison

Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)

Health HazardsExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Hazards SummaryEmergency treatment: Acetonitrile; Acetonitrile can cause delayed onset (2-13 hours) cyanide poisoning; [HSDB] See NITRILES.

안전 및 보호

Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Isolation and EvacuationExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

Adverse EffectsOther Poison - Chemical Asphyxiant

안전 데이터

tsca: TSCA listed
유해 물질 데이터: 20068-02-4(Hazardous Substances Data)

화학 및 산업

약리 정보

Absorption, Distribution and ExcretionMay be absorbed orally, dermally and by inhalation.

용도 및 제조

Uses · 4건

Used as chemical intermediate for cis-2-Methyl-2-butenoic acid and possibly for polymers and copolymers; Also used as a solvent; [HSDB]

CHEM INT, EG, FOR CIS-2-METHYL-2-BUTENOIC ACID

CHEM INT FOR POLYMERS & COPOLYMERS (POSSIBLE USE)

SOLVENT (POSSIBLE USE)

Methods of ManufacturingVAPOR PHASE AMMOXIDATION OF 2-METHYL-2-BUTENE WITH AMMONIA; ISOLATION AS A BY-PRODUCT OF ADIPONITRILE PRODN FROM BUTADIENE & HYDROGEN CYANIDE.

General Manufacturing Information2-Butenenitrile, 2-methyl-, (2Z)-: INACTIVE