Trimethyl orthobeznoate (HCID 69720)

이름 및 식별자

우선 이름: Trimethyl orthobeznoate
IUPAC: trimethoxymethylbenzene
영어명: Trimethyl orthobenzoate
분자식: C10H14O3
분자량: 182.22

이름 및 동의어

Trimethyl orthobenzoate707-07-3(Trimethoxymethyl)benzeneBenzene, (trimethoxymethyl)-Trimethyl orthobeznoateMethyl orthobenzoateOrthobenzoic acid, trimethyl estertrimethoxyphenylmethanealpha,alpha,alpha-TrimethoxytolueneEINECS 211-897-5NSC 67391NSC-67391

이름 더 보기

OrthobenzoateSKL283trimethyl benzoateIntedanib Impurity 6TRIMETHYL-O-BENZOATESunitinib Impurity 71

AI3-11562DTXSID5061039.ALPHA.,.ALPHA.,.ALPHA.-TRIMETHOXYTOLUENERefChem:899747DTXCID7046754Orthobenzoic acid, trimethyl ester (8CI)211-897-53755490344

데이터베이스 식별자

CAS: 707-07-3
PubChem CID: 69720
DTXSID: DTXSID5061039
UNII: 3755490344
EC Number: 211-897-5
Nikkaji: J32.055B

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 27.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 129

실험 및 물리화학적 성질

LogP2.27

물리화학적 성질

끓는 점: 87 · 87-88 °C/7 mmHg (lit.)
밀도: 1.061 g/mL · 1.061 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.489(lit.)
인화점: 180 °F · 180 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 유기 용매에 용해됩니다.
물리적 상태: 액체
색상: 무색의
BRN: 777623 · 777623
안정성: 흡습성
InChI: 1S/C10H14O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey: IECKAVQTURBPON-UHFFFAOYSA-N
SMILES: COC(OC)(OC)c1ccccc1
NIST: Benzene, (trimethoxymethyl)-(707-07-3)
EPA: Benzene, (trimethoxymethyl)- (707-07-3)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.7% (1 of 58) of reports.

Warning

H315 (96.6%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 58 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20285

Benzene, (trimethoxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (96.6%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29163100
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, (trimethoxymethyl)-: ACTIVE

응용 분야 · 2건

용도Trimethyl Orthobenzoate is a reagent used in the synthesis of quinazolines. Also used in the prepaaration of nintedanib (N478290), used in the treatment of idiopathic pulmonary fibrosis. Also inhibits the process blood vessel formation which may be used to assist in cancer therapy.

일반 설명Trimethyl orthobenzoate reacts with P-dimethylaminophosphonic acid bis(1-methylhydrazide) to yield 1,2,5,6-tetrahydro-1,5-dimethyl-6-(N,N-dimethylamino)-6-phenyl-1,2,4,5,6-tetrazaphosphorine-6-oxide.