Trimethyl orthobeznoate

(Trimethoxymethyl)benzene · Orthobenzoate · Methyl orthobenzoate · Benzene, (trimethoxymethyl)- · SKL283 · NSC-67391 · trimethyl benzoate · Intedanib Impurity 6

https://huagongshe.com/ko/chemical/69720

식별자 및 물리적 특성

CAS No.	707-07-3
분자식	C10H14O3
평균 분자량	182.22 g/mol
단동위원소 질량	182.09429431 g/mol
SMILES	COC(OC)(OC)c1ccccc1
InChIKey	IECKAVQTURBPON-UHFFFAOYSA-N
PubChem CID	69720
EC No.	211-897-5
DTXSID	DTXSID5061039

화학 및 물리적 성질

XLogP	2.3
극성 표면적	27.7
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	4
무거운 원자 수	13
형식 전하	0
복잡도	129
LogP(분배 계수)	2.27
끓는 점	87-88 °C/7 mmHg (lit.)
밀도	1.061 g/mL at 25 °C (lit.)
굴절률	n20/D 1.489(lit.)
인화점	180 °F
저장 조건	Inert atmosphere,Room Temperature
용해도	유기 용매에 용해됩니다.
물리적 상태	액체
색상	무색의
BRN	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	This chemical does not meet GHS hazard criteria for 1.7% (1 of 58) of reports.WarningH315 (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.
규제 정보	Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20285Benzene, (trimethoxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (96.6%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29163100
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36/37/39-37/39
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	10 - Combustible liquids

용도

Trimethyl 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 설명

Trimethyl 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.