Triethoxy(3-isocyanatopropyl)silane (HCID 90613)

名称と識別子

優先名称: Triethoxy(3-isocyanatopropyl)silane
IUPAC: triethoxy(3-isocyanatopropyl)silane
現地名: イソシアン酸3-(トリエトキシシリル)プロピル
英語名: 3-Isocyanatopropyltriethoxysilane
分子式: C10H21NO4Si
分子量: 247.36

名称と別名

3-IsocyanatopropyltriethoxysilaneTriethoxy(3-isocyanatopropyl)silane(3-Isocyanatopropyl)triethoxysilane3-(Triethoxysilyl)propyl isocyanateSilane, triethoxy(3-isocyanatopropyl)-DTXSID4038847EINECS 246-467-6Isocyanic acid, 3-(triethoxysilyl)propylesterUNII-9BR6002P6E9BR6002P6Etriethoxysilylpropyl isocyanateDTXCID2018847

名称をさらに表示

イソシアン酸3-(トリエトキシシリル)プロピルトリエトキシ[3-イソシアナトプロピル]シラン(3-イソシアナトプロピル)トリエトキシシラン3-(トリエトキシシリル)プロパン-1-イル=イソシアナート[3-(トリエトキシシリル)プロピル]イソシアナートトリエトキシ(3-イソシアナトプロピル)シラン1-イソシアナト-3-(トリエトキシシリル)プロパン3-(トリエトキシシリル)プロピルイソシアナート3-イソシアナトプロピルトリエトキシシラン3-イソシアン酸プロピルトリエトキシシラン3-(トリエトキシシリル)プリピルイソシアネートIsocyanatopropyltriethoxysilaneKH-907ICPTES3-isocyanatepropyltriethoxysilanei7840y9030FC-25yh9030

EC 246-467-6.gamma.-Isocyanopropyltriethoxysilane3-ISOCYANANOPROPYLTRIETHOXYSILANE3-(ISOCYANOPROPYL)TRIETHOXYSILANE1-(TRIETHOXYSILYL)-3-ISOCYANATOPROPANETRIETHOXY(.GAMMA.-ISOCYANATOPROPYL)SILANE.GAMMA.-(TRIETHOXYSILYL)PROPYL ISOCYANATERefChem:191503

データベース識別子

CAS: 24801-88-5
PubChem CID: 90613
DTXSID: DTXSID4038847
ChEMBL: CHEMBL3187620
UNII: 9BR6002P6E
EC Number: 246-467-6
Nikkaji: J195.937I

物性

構造計算による物性

極性表面積: 57.1 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 10
重原子数: 16
形式電荷: 0
複雑度: 202

実験および物理化学的性質

Chemical ClassesMetals -> Metalloid Compounds (Silicon)

Physical Description · 2 件

Liquid

Liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 0 °C · <0°C
沸点: 283 °C · 283 °C(lit.)
比重(密度): 0.999 g/mL · 0.999 g/mL at 25 °C(lit.)
蒸気圧: 0 · 0-7910Pa at 20-25℃
屈折率: 20 · n20/D 1.42(lit.)
闪点: 171 °F · 171 °F
貯蔵温度: 2 · 2-8°C
外見: 液体
比重: 0.999 · 0.999
色: 無色透明～黄色
水溶解度: 水中で加水分解します。
BRN: 4404652 · 4404652
InChI: 1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3
InChIKey: FRGPKMWIYVTFIQ-UHFFFAOYSA-N
SMILES: CCO[Si](CCCN=C=O)(OCC)OCC
LogP: -4 · -4--0.3 at 20℃
CAS データベース: 24801 · 24801-88-5(CAS DataBase Reference)
EPAの化学物質情報: Silane, triethoxy(3-isocyanatopropyl)- (24801-88-5)

化学的性質

化学的特性Colorless clear liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 10.8% (22 of 203) of reports.

Danger

H302+H312 (22.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 203 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Silane, triethoxy(3-isocyanatopropyl)-

Silane, triethoxy(3-isocyanatopropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Silane, triethoxy(3-isocyanatopropyl)- 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: 01-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16621

Silane, triethoxy(3-isocyanatopropyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards Summary · 1 件

A severe eye and moderate skin irritant; Causes irritability, acute pulmonary edema, and dermatitis in dermal lethal-dose studies of rabbits; Causes conjunctival irritation, focal lung fibrosis, and hemorrhage in inhalation lethal-concentration studies of rats; Causes somnolence, dyspnea, and other GI changes in oral lethal-dose studies of rats; [RTECS] Causes burns and lachrymation; May cause respiratory sensitization; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Highly toxic by inhalation; Harmful by ingestion and skin absorption; Targets the liver and nerves; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (87.7%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

Toxicity DataLC50 (rat) = 360 mg/m3/4hr

安全データ

F: 10-19-21
wgk: 3
tsca: TSCA listed
rtecs: VV6691000
ridadr: UN 3390 6.1/PG 1
毒性: LD50 oral in rat: 707uL/kg
hs_code: 29319090
risk_code: 21/22-26-34-42
化審法: (2)-3880
消防法: 危-4-3-III
hazard_code: T+
safety_code: 23-26-28-36/37/39-45
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials