Triethyl methanetricarboxylate

HCID 80471CAS 6279-86-3

기본 정보

표준 SMILES: CCOC(=O)C(C(=O)OCC)C(=O)OCC
InChIKey: AGZPNUZBDCYTBB-UHFFFAOYSA-N
분자식: C10H16O6
평균 분자량: 232.23 g/mol
단동위원소 질량: 232.09468823

이름 및 식별자

우선 이름: Triethyl methanetricarboxylate
IUPAC: triethyl methanetricarboxylate
영어명: Triethyl methanetricarboxylate
분자식: C10H16O6
분자량: 232.23

이름 및 동의어

Triethyl methanetricarboxylate6279-86-3Methanetricarboxylic acid, triethyl esterEINECS 228-477-2AI3-18421DTXSID502118661,1,1-triethyl methanetricarboxylateNSC 11006RefChem:899477DTXCID80134357228-477-2InChI=1/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H

이름 더 보기

TRIETHYL CARBOXYMALONATETris(ethoxycarbonyl)methaneAURORA KA-1885Tricarboethoxymethanetris(carboethoxy)methaneTri(ethoxycarbonyl)methaneEthyl Acetate Impurity 131Diethyl (carboethoxy)malonate

2-Ethoxycarbonyl-malonic acid diethyl esterTricarbethoxymethaneMFCD00009150TriethylmethanetricarboxylateMethanetricarboxylic acid triethyl esterC10H16O6Diethyl 2-(ethoxycarbonyl)malonatediethyl 2-(ethoxycarbonyl)propane-1,3-dioate

데이터베이스 식별자

CAS: 6279-86-3
PubChem CID: 80471
DTXSID: DTXSID50211866
EC Number: 228-477-2
Nikkaji: J150.011B

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 78.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 9
무거운 원자 수: 16
형식 전하: 0
복잡도: 217

물리화학적 성질

녹는점: 25 · 25-26 °C (lit.)
끓는 점: 253 °C · 253 °C (lit.)
밀도: 1.095 g/mL · 1.095 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.424(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 녹은 후에 액체
산도 계수 (pKa): 9.13 · 9.13±0.59(Predicted)
색상: 무색~황색으로 투명함
수용성: 섞일 수 없음
BRN: 1793645 · 1793645
InChI: InChI=1S/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H3
InChIKey: AGZPNUZBDCYTBB-UHFFFAOYSA-N
SMILES: C(C(=O)OCC)(C(=O)OCC)C(=O)OCC
NIST: Triethyl methanetricarboxylate(6279-86-3)

화학적 성질

CLEAR COLORLESS TO YELLOW LIQUID AFTER MELTING

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationMethanetricarboxylic acid, triethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

규제 정보

Regulatory InformationMethanetricarboxylic acid, triethyl ester: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
HS 번호: 29171990
safety_code: 23-24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Triethyl Methanetricarboxylate is used in the synthesis of novel inhibitors of Hsp90. It is also used in the preparation of novel dihydroquinoline-3-carboxylic acids that function as HIV-1 integrase i nhibitors.