基本情報
- CAS
20780-54-5- 標準SMILES
c1ccc([C@H]2CO2)cc1- InChIKey
AWMVMTVKBNGEAK-MRVPVSSYSA-N- 分子式
- C8H8O
- 平均分子量
- 120.15 g/mol
- 単同位体質量
- 120.05751487
名称と識別子
- 優先名称
- (S)-styrene oxide
- IUPAC
- (2S)-2-phenyloxirane
- 現地名
- (2S)-2β-フェニルオキシラン
- 英語名
- (S)-Styrene oxide
- 分子式
- C8H8O
- 分子量
- 120.15
名称と別名
(S)-Styrene oxide20780-54-5S-PhenyloxiraneS-(Epoxyethyl)benzeneStyrene oxide, (S)-Benzene, (epoxyethyl)-, (S)-AV5P894C84CHEBI:51014DTXSID90174865RefChem:889337DTXCID2097356(S)-2-Phenyloxirane
名称をさらに表示
[(2S)-オキシラニル]ベンゼン[S,(-)]-2β-フェニルオキシラン(2S)-2β-フェニルオキシラン2β-フェニルオキシラン(S)-2-フェニルオキシラン(S)-フェニルオキシラン(2S)-2-フェニルオキシラン(S)-2β-フェニルオキシラン(S)-(-)-スチレンオキシド(S)-スチレンオキシド(S)-(-)-スツレンオキシド(S)‐(-)‐スチレンオキシド(Ｓ)-(-)-エポキシエチルベンゼン(Ｓ)-(-)-フェニルエチレンオキシド(Ｓ)-(-)-フェニルオキシラン(s)-benzen(S)-EPOXYSTYROL(S)-PHENYLOXIRANE(S)-(+)-Styryl oxide(S)-(-)-Epoxystyrene(2S)-2β-Phenyloxirane(2S)-2-Phenyl-oxirane[(2S)-Oxiranyl]benzeneS-2-PhenylEthyleneOxide
(2S)-2-phenyloxirane(S)-(-)-Styrene oxideOxirane, 2-phenyl-, (2S)-(S)-(+)-Styrene oxide(S)-Phenylethylene oxideMFCD00064310(S)-(+)-EpoxyethylbenzeneOxirane, phenyl-, (2S)-
データベース識別子
- CAS
20780-54-5- PubChem CID
- 114946
- DTXSID
DTXSID90174865- ChEBI
CHEBI:51014- UNII
- AV5P894C84
- EC Number
- 606-638-1
- Nikkaji
- J389.770B
物性
構造計算による物性
- XLogP
- 1.6
- 極性表面積
- 12.5 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
- 9
- 形式電荷
- 0
- 複雑度
- 94
実験および物理化学的性質
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 比旋光度
- -33 · -33 º (neat)
- 沸点
- 192 · 192-194 °C(lit.)
- 比重(密度)
- 1.051 g/mL · 1.051 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.535
- 闪点
- 175 °F · 175 °F
- 貯蔵温度
- 2 · 2-8°C
- 外見
- clear liquid
- 色
- Colorless to Light yellow to Light orange
- BRN
- 3587977 · 3587977
- InChI
- InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m1/s1
- InChIKey
- AWMVMTVKBNGEAK-MRVPVSSYSA-N
- SMILES
- O1C[C@@H]1C1=CC=CC=C1
- CAS データベース
- 20780 · 20780-54-5(CAS DataBase Reference)
化学的性質
化学的特性Colorless to light yellow liqui
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H311 (97.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (95.3%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H350 (100%): May cause cancer [Danger Carcinogenicity]
P203, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P316, P318, P321, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 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 InformationChemical: Oxirane, phenyl-, (S)-
Other Safety InformationIMAP assessments - Phenyloxirane and its isomers: Human health tier II assessment
Hazards SummaryAn irritant; May cause CNS depression; Toxic by inhalation and skin absorption; Targets the CNS and liver; [Sigma-Aldrich MSDS] See Styrene-7,8-oxide.
Hazard Classes and Categories
Acute Tox. 3 (97.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 3 (95.3%)；Carc. 1B (100%)
Acute toxicity - category 4；Eye irritation - category 2A；Skin sensitisation - category 1；Carcinogenicity - category 1B
毒性情報
Adverse Effects
Neurotoxin - Other CNS neurotoxin；Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.；Skin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity DataLC50 (rat) = 4,900 mg/m3/4hr
法規制情報
Regulatory InformationChemical: Oxirane, phenyl-, (S)-
安全データ
- F
- 10
- wgk
- 3
- rtecs
- CZ9625030
- ridadr
- UN 2810 6.1/PG 3
- PRTR法
- 1-344
- hs_code
- 2910900090
- risk_code
- 45-20/21-36/38
- 化審法
- (3)-1033
- 安衛法
- 変異原性物質
- 消防法
- 危-4-3-III
- hazard_code
- T
- safety_code
- 53-26-36/37-45
- hazard_class
- 6.1
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAquatic Chronic 2Carc. 1BEye Irrit. 2Skin Irrit. 2
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
応用分野
使用(S)-(-)-Styrene oxide can undergo copolymerization with CO2 to form the corresponding polycarbonate in the presence of a cobalt-based catalyst system.
一般的な説明Styrene oxide is an oxirane derivative, which is used as a monomer for the synthesis of polyesters with relatively highTg values via ring-opening copolymerization. It can also be used as a useful intermediate in the preparation of levamisole, a nematocideand anticancer agent.
上流・下流製品情報
下流製品
サプライヤー100 社
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海科利生物医药有限公司13816253073 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
Syntechem Co.,Ltd[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海格物致知医药科技有限公司21-21-54301573 13917723525 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
杭州微远生物科技有限公司15234742824 15234742824 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
越林试剂021-62960152 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
河北朵放科技有限公司13127301785 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
上海兴鲁化工科技有限公司02120970332 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
上海福兴医药科技有限公司21-21-64961388 18918697718 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
湖北辰心化工有限公司17362916295
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
補足説明
定義ChEBI: The (S)-enantiomer of styrene oxide.
関連反応
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