메틸바이사이클로[2.2.1]HEPT-5-ENE-2-CARBOXYLATE

Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

HCID 250075CAS 6203-08-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C1CC2C=CC1C2
InChIKey: RMAZRAQKPTXZNL-UHFFFAOYSA-N
분자식: C9H12O2
평균 분자량: 152.19 g/mol
단동위원소 질량: 152.08372962

이름 및 식별자

우선 이름: Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
IUPAC: methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
현지명: 메틸바이사이클로[2.2.1]HEPT-5-ENE-2-CARBOXYLATE
영어명: Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
분자식: C9H12O2
분자량: 152.19

이름 및 동의어

Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylateDTXSID80290508methyl bicyclo(2.2.1)hept-5-ene-2-carboxylateRefChem:817657DTXCID60241654678-304-36203-08-3Methyl 5-norbornene-2-carboxylate5-Norbornene-2-carboxylic Acid Methyl EsterBicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl esterMFCD001675925-norbornene-2-carboxylic methylester

이름 더 보기

메틸바이사이클로[2.2.1]HEPT-5-ENE-2-CARBOXYLATEBicyclMethyl Bicyclo[2.2.ate (endo- and exo- mixture)5-NORBORNENE-2-CARBOXYLIC METHYL ESTERMethyl 5-Norbornene-2-carboxylate 5-Norbonene-2-carboxylic acid Methyl esterNorborn-5-ene-2-carboxylic acid methyl esterNorborna-2-ene-5-carboxylic acid methyl ester

Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate #5-methoxycarbonylnorborneneCHEMBL8047NCIOpen2_000329SCHEMBL75461cis-Bicyclo[2.2.1]hept-2-ene-5-carboxylic acid, methyl ester2-methoxycarbonyl-5-norborneneBicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, endo-

데이터베이스 식별자

CAS: 6203-08-3
PubChem CID: 250075
DTXSID: DTXSID80290508
ChEMBL: CHEMBL8047
EC Number: 678-304-3
Nikkaji: J21.525B

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 208

물리화학적 성질

끓는 점: 70 · 70-71 °C(Press: 12 Torr)
밀도: 1.06 · 1.06
굴절률: 1.472 to · 1.4720 to 1.4770
인화점: 68 °C · 68°C
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
InChI: InChI=1S/C9H12O2/c1-11-9(10)8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3
InChIKey: RMAZRAQKPTXZNL-UHFFFAOYSA-N
SMILES: C12CC(C=C1)CC2C(OC)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

안전 데이터

wgk: 3
ridadr: NA 1993 / PGIII
HS 번호: 2917200090
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

상·하류 제품 정보

상류 원료

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

연결된 노트

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