(2Z)-2-ペンテンニトリル

2-Pentenenitrile, (Z)-

HCID 6433944CAS 25899-50-7
部分構造検索類似構造を探す

基本情報

標準SMILES
CC/C=C\C#N
InChIKey
ISBHMJZRKAFTGE-ARJAWSKDSA-N
分子式
C5H7N
平均分子量
81.12 g/mol
単同位体質量
81.05784923

名称と識別子

優先名称
2-Pentenenitrile, (Z)-
IUPAC
(Z)-pent-2-enenitrile
現地名
(2Z)-2-ペンテンニトリル
英語名
2-Pentenenitrile
分子式
C5H7N
分子量
81.12

名称と別名

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
名称をさらに表示
cis-2-ペンテンニトリル(Z)-2-ペンテンニトリル(2Z)-2-ペンテンニトリルシス２ペンテンニトリル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;

データベース識別子

CAS
25899-50-7
PubChem CID
6433944
DTXSID
DTXSID2027884
ChEMBL
CHEMBL3185899
UNII
13MIC79314
EC Number
247-323-5
Nikkaji
J181.278E

物性

構造計算による物性

XLogP
1.2
極性表面積
23.8 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
1
重原子数
6

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

沸点
127 · 127-128 °C766 mm Hg(lit.)
比重(密度)
0.821 g/mL · 0.821 g/mL at 20 °C(lit.)
蒸気密度
2.8 · 2.8 (vs air)
蒸気圧
46 mm · 46 mm Hg ( 50 °C)
屈折率
20 · n20/D 1.424(lit.)
闪点
75 °F · 75 °F

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

法規制情報

Regulatory Information · 3 件

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

安全データ

wgk
3
tsca
TSCA listed
rtecs
SB2260000
ridadr
UN 3276 6.1/PG 3
毒性
LDLo orl-rat: 450 mg/kg EPASR* 8EHQ-1190-1121
risk_code
11-20-36

化学と産業

用途と製造

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 · 2 件

All Other Basic Organic Chemical Manufacturing

2-Pentenenitrile, (2Z)-: ACTIVE

上流・下流製品情報

サプライヤー7 社

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]

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