기본 정보
- 표준 SMILES
CC/C=C\C#N- InChIKey
ISBHMJZRKAFTGE-ARJAWSKDSA-N- 분자식
- C5H7N
- 평균 분자량
- 81.12 g/mol
- 단동위원소 질량
- 81.05784923
이름 및 식별자
- 우선 이름
- 2-Pentenenitrile, (Z)-
- IUPAC
- (Z)-pent-2-enenitrile
- 영어명
- 2-Pentenenitrile
- 분자식
- C5H7N
- 분자량
- 81.12
이름 및 동의어
2-Pentenenitrile, (Z)-RefChem:477867CIS-2-PENTENENITRILE25899-50-7(Z)-Pent-2-enenitrile2-Pentenenitrile, (2Z)-(2Z)-2-Pentenenitrilecis-1-Butenyl cyanide(Z)-2-PentenenitrileDTXSID202788413MIC793141-Cyano-1-butene
이름 더 보기
2-Pentenenitrile(z)-2-pentenenitrilcis-1-butenylcyanide1-BUTEN-1-YL CYANIDE
cis-2-PentenonitrileCCRIS 1229EINECS 247-323-5(2Z)-pent-2-enenitrileBRN 1719855UNII-13MIC79314cis-pent-2-enenitrileCis-2-pentenenitrile;
데이터베이스 식별자
- CAS
25899-50-7- PubChem CID
- 6433944
- DTXSID
DTXSID2027884- ChEMBL
CHEMBL3185899- UNII
- 13MIC79314
- EC Number
- 247-323-5
- Nikkaji
- J181.278E
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 23.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 83
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 127 · 127-128 °C766 mm Hg(lit.)
- 밀도
- 0.821 g/mL · 0.821 g/mL at 20 °C(lit.)
- 증기 밀도
- 2.8 · 2.8 (vs air)
- 증기압
- 46 mm · 46 mm Hg ( 50 °C)
- 굴절률
- 20 · n20/D 1.424(lit.)
- 인화점
- 75 °F · 75 °F
- 물리적 상태
- 액체
- 수용성
- 11.2 g/L · 11.2g/L at 20℃
- EPA
- 2 · 2-Pentenenitrile, (2Z)- (25899-50-7)
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H301+H311+H331 (99%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P319, P321, P330, P333+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 105 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
2-Pentenenitrile, (2Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pentenenitrile, (2Z)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 20-08-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11707
cis-2-Pentenonitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)；Skin Sens. 1B (100%)；Acute Tox. 3 (100%)；STOT RE 1 (100%)
규제 정보
Regulatory Information
2-Pentenenitrile, (2Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pentenenitrile, (2Z)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 20-08-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11707
cis-2-Pentenonitrile: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SB2260000
- ridadr
- UN 3276 6.1/PG 3
- 독성
- LDLo orl-rat: 450 mg/kg EPASR* 8EHQ-1190-1121
- risk_code
- 11-20-36
- hazard_code
- T,Xn,F
- safety_code
- 16-36/37/39-45-7/9
- 포장분류
- II
- 위험 등급
- 6.1(a)
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <8,500,000 lb；2022: 1,000,000 - <8,500,000 lb；2021: 1,000,000 - <8,500,000 lb；2020: 1,000,000 - <8,500,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2-Pentenenitrile, (2Z)-: ACTIVE
상·하류 제품 정보
상류 원료
공급사7 곳
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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