CAS 51594-55-9 (-)-Epichlorohydrin (HCID 2734062)

基本情報

CAS: 51594-55-9
標準SMILES: ClC[C@H]1CO1
InChIKey: BRLQWZUYTZBJKN-VKHMYHEASA-N
分子式: C3H5ClO
平均分子量: 92.52 g/mol
単同位体質量: 92.0028925

名称と識別子

優先名称: (-)-Epichlorohydrin
IUPAC: (2R)-2-(chloromethyl)oxirane
現地名: (R)-エピクロロヒドリン
英語名: (R)-(-)-Epichlorohydrin
分子式: C3H5ClO
分子量: 92.52

名称と別名

(R)-(-)-Epichlorohydrin51594-55-9(-)-Epichlorohydrin(R)-(Chloromethyl)oxiraneEpichlorohydrin, (-)-VEC01H609IDTXSID501014417RefChem:590916DTXCID901437011424-280-2(R)-Epichlorohydrin(2R)-2-(chloromethyl)oxirane

名称をさらに表示

(R)-エピクロロヒドリン[R,(-)]-2-クロロメチルオキシラン2β-(クロロメチル)オキシラン(R)-2-(クロロメチル)オキシラン(R)-(-)-エピクロロヒドリン(2R)-2β-(クロロメチル)オキシラン(2R)-2-(クロロメチル)オキシラン(-)-エピクロロヒドリン(R)-2β-(クロロメチル)オキシラン(R)-(クロロメチル)オキシラン(-)-α-エピクロロヒドリン（R）エピクロロヒドリン(R)-(-)-エピクロロヒドリン塩化物(R)-1-クロロ-2,3-エポキシプロパン[[[(R)-1-クロロ-2,3-エポキシプロパン(R)-3-クロロプロピレンオキシド(R)-クロロメチルオキシラン(R)‐1‐クロロ‐2,3‐エポキシプロパン(R)‐エピクロロヒドリン(R)-(-)-エピクロロヒドリン, 98+%2-(Chloromethyl)oxiraneEPICHOLOROHYDRIN(R)-(-)-Epichlorohydorohydrin(R)-(−(R)-(-)-EpichLEPICHLOROHYDINEL-Epichlorohydrin

(R)-2-(Chloromethyl)OxiraneR-(-)-Epichlorohydrin(R)-3-chloro-1,2-epoxypropaneOxirane, (chloromethyl)-, (2R)-MFCD00077759(R)-1-Chloro-2,3-epoxypropaneOxirane, (chloromethyl)-, (R)-r-epichlorohydrin

データベース識別子

CAS: 51594-55-9
PubChem CID: 2734062
DTXSID: DTXSID501014417
ChEMBL: CHEMBL448626
ChEBI: CHEBI:18662
UNII: VEC01H609I
EC Number: 424-280-2、628-656-9
Nikkaji: J112.276B

物性

構造計算による物性

XLogP: 0.5
極性表面積: 12.5 Å²
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: 5
形式電荷: 0
複雑度: 37

物理化学的性質

融点: -48 °C · -48°C
比旋光度: 34 · 34 º (589nm, c=1, MeOH)
沸点: 114 °C · 114 °C(lit.)
比重(密度): 1.18 g/mL · 1.180 g/mL at 20 °C(lit.)
蒸気密度: 3.29 · 3.29 (vs air)
蒸気圧: 10 mm · 10 mm Hg ( 16.6 °C)
屈折率: 20 · n20/D 1.438(lit.)
闪点: 33 °C · 33 °C
貯蔵温度: 2 · 2-8°C
溶解性: Chloroform (Sparingly), Methanol (Slightly)
外見: 液体
色: 無色透明～ごく薄い黄色
爆発限界(explosive limit): 21 % · 21%
水溶解度: 不溶性
Merck: 14 · 14,3532
BRN: 1420785 · 1420785
InChI: 1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m0/s1
InChIKey: BRLQWZUYTZBJKN-VKHMYHEASA-N
SMILES: ClC[C@H]1CO1
CAS データベース: 51594 · 51594-55-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]；H301: Toxic if swallowed [Danger Acute toxicity, oral]；H311: Toxic in contact with skin [Danger Acute toxicity, dermal]；H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H331: Toxic if inhaled [Danger Acute toxicity, inhalation]；H350: May cause cancer [Danger Carcinogenicity]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P318, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

危険有害性情報

Regulatory Information · 2 件

Hazard Traits - Carcinogenicity；Authoritative List - EC Annex VI CMRs - Cat. 1B；Report - if used as a fragrance or flavor ingredient

Status: Cease Manufacture Update: 20-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23063；Status: Active Update: 15-04-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/9019

Hazard Classes and Categories · 5 件

Flam. Liq. 3 (100%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (100%)；Acute Tox. 3 (100%)；Carc. 1B (100%)；Repr. 2 (10.3%)

Flam. Liq. 3 (98.6%)；Acute Tox. 3 (98.6%)；Acute Tox. 3 (98.6%)；Skin Corr. 1B (98.6%)；Skin Sens. 1 (98.6%)；Acute Tox. 3 (97.2%)；Carc. 1B (98.6%)

Flammable liquid - category 3；Carcinogenicity - category 1B；Acute toxicity - category 3；Acute toxicity - category 3；Skin corrosion - category 1B；Skin sensitisation - category 1

Flammable liquids - Category 3；Acute toxicity (Oral) - Category 3；Acute toxicity (Dermal) - Category 3；Acute toxicity (Inhalation: Vapours) - Category 2；Skin corrosion/irritation - Category 1；Serious eye damage/eye irritation - Category 1；Respiratory sensitization - Category 1；Skin sensitization - Category 1；Germ cell mutagenicity - Category 2；Reproductive toxicity - Category 2；Specific target organ toxicity - Single exposure - Category 1 (kidney), Category 2 (liver, digestive system), Category 3 (respiratory tract irritation)；Specific target organ toxicity - Repeated exposure - Category 1 (digestive system, respiratory system, kidney, liver)

化学と産業

応用分野 · 1 件

使用((R)-Epichlorohydrin) R-enantiomer of Epichlorohydrin, an important industrial chemical, is a bifunctional alkylating agent with the potential to form DNA cross-links. It is used as a solvent for natural and synthetic resins, gums, cellulose esters and ethers, paints, varnishes, nail enamels and lacquers, cement for Celluloid. Also, it is used as stabilizer.