2H-Pyran-4-carboxylic acid, tetrahydro-, methyl ester

HCID 2773520CAS 110238-91-0

기본 정보

표준 SMILES: COC(=O)C1CCOCC1
InChIKey: CNCMVGXVKBJYNU-UHFFFAOYSA-N
분자식: C7H12O3
평균 분자량: 144.17 g/mol
단동위원소 질량: 144.07864424

이름 및 식별자

우선 이름: 2H-Pyran-4-carboxylic acid, tetrahydro-, methyl ester
IUPAC: methyl oxane-4-carboxylate
영어명: Methyl tetrahydropyran-4-carboxylate
분자식: C7H12O3
분자량: 144.17

이름 및 동의어

110238-91-02H-PYRAN-4-CARBOXYLIC ACID, TETRAHYDRO-, METHYL ESTERRefChem:484407422-770-0600-952-2Methyl tetrahydropyran-4-carboxylateMethyl tetrahydro-2H-pyran-4-carboxylatemethyl oxane-4-carboxylateMFCD01075170SCHEMBL74560DTXSID00378519methyltetrahydropyran-4-carboxylate

이름 더 보기

CAS:110238-91-02H-Pyran-4-carboxylic aciMethyl tetrahydropyran-4-...4-(Methoxycarbonyl)tetrahydropyranMethyl tetrahydro-2H-pyran-4- carboxylMethyltetrahydro-2H-pyran-4-carboxylatMethyl terahydro-2H-Pyran-4-Carboxylate

PS-3344TETRAHYDRO-2H-PYRAN-4-CARBOXYLIC ACID METHYL ESTERMethyl tetrahydro-2-H-pyran-4-carboxylateTETRAHYDROPYRAN-4-CARBOXYLIC ACID METHYL ESTERMethyltetrahydro-2H-pyran-4-carboxylateA2178SCHEMBL74559orb3030576

데이터베이스 식별자

CAS: 110238-91-0
PubChem CID: 2773520
DTXSID: DTXSID00378519
EC Number: 422-770-0、600-952-2
Nikkaji: J1.650.219G

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 116

물리화학적 성질

녹는점: -33 °C · -33°C
끓는 점: 197 °C · 197°C
밀도: 1.08 g/mL · 1.080 g/mL at 20 °C(lit.)
인화점: 86 °C · 86°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 투명한
BRN: 114974 · 114974
InChI: 1S/C7H12O3/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3
InChIKey: CNCMVGXVKBJYNU-UHFFFAOYSA-N
SMILES: COC(=O)C1CCOCC1

화학적 성질

colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H318 (98.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

유해성 정보

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4718

Hazard Classes and Categories · 2건

Eye Dam. 1 (98.1%)

Eye Irrit. 2 (100%)

안전 데이터

wgk: 2
ridadr: 1993
HS 번호: 29329990
risk_code: 36-36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 참고 사항: Harmful
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Methyl tetrahydro-2H-pyran-4-carboxylate may be used in the following syntheses:cycloalkylamide derivativestetrahydro-2-furoic chloridetetrahydro-2H-pyran-4-carboxylic chloride

상·하류 제품 정보

상류 원료

하류 제품

Tetrahydropyran-4-carbaldehyde 4-(Bromomethyl)tetrahydropyran Methyl4-[(acetylsulfanyl)methyl]oxane-4-carboxylate

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

张家港博迈化学有限公司15601563028

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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