tert-부틸5-노르보르넨-2-카르복실레이트

Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,1-dimethylethyl ester

HCID 15607334

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 154970-45-3
표준 SMILES: CC(C)(C)OC(=O)C1CC2C=CC1C2
InChIKey: BZBMBZJUNPMEBD-UHFFFAOYSA-N
분자식: C12H18O2
평균 분자량: 194.27 g/mol
단동위원소 질량: 194.13067981

이름 및 식별자

우선 이름: Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,1-dimethylethyl ester
IUPAC: tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
현지명: tert-부틸5-노르보르넨-2-카르복실레이트
영어명: tert-Butyl 5-norbornene-2-carboxylate
분자식: C12H18O2
분자량: 194.27

이름 및 동의어

tert-Butyl bicyclo[2.2.1]hept-5-ene-2-carboxylateBicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,1-dimethylethyl estertert-Butyl bicyclo(2.2.1)hept-5-ene-2-carboxylateDTXSID70889026Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 1,1-dimethylethyl esterRefChem:568297DTXCID801028295154970-45-3tert-Butyl Bicyclo[2.2.1]-5-heptene-2-carboxylate5-Norbornene-2-carboxylic t-Butyl esterMFCD18083704t-butyl 5-norbornene-2-carboxylate

이름 더 보기

tert-부틸5-노르보르넨-2-카르복실레이트o[2.2.1]-5-heptene-2-carboxyL5-Norbornene-2-carboxylate-t-butylT-BUTYL-5-NORBORNENE-2-CARBOXYLATEtert-Butyl 5-norbornene-2-carboxylateT-BUTYL 5-NORBORNENE-2-CARBOXYLATE(BNC)5-NORBORENE-2-CARBOXYLICACIDT-BUTYLESTER5-norbornene-2-carboxylic tert-butyl ester5-Norbornene-2-carboxylic acid t-butyl ester5-Norbornene-2-Carboxylic Acid tert-Butyl Ester

5-t-butoxycarbonylnorbornenet-butyl 5-norbornene- 2-carboxylateAKOS015901346SY008848Bicyclo[2.2.1]hept-5-ene-2-carboxylic Acid tert-Butyl EsterB4267tert-Butyl-5-norbornene-2-carboxylateFT-0657860

데이터베이스 식별자

CAS: 154970-45-3
PubChem CID: 15607334
DTXSID: DTXSID70889026
Nikkaji: J880.440K

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 273

물리화학적 성질

끓는 점: 243 °C · 243°C
밀도: 1.046 · 1.046
굴절률: 1.458 to · 1.4580 to 1.4620
인화점: 92 °C · 92°C
저장 조건: Sealed in dry,Room Temperature
InChI: InChI=1S/C12H18O2/c1-12(2,3)14-11(13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3
InChIKey: BZBMBZJUNPMEBD-UHFFFAOYSA-N
SMILES: C12CC(C=C1)CC2C(OC(C)(C)C)=O
EPA: 2.2 · Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,1-dimethylethyl ester (154970-45-3)

화학적 성질

White solid

안전 및 규제

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

규제 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

안전 데이터

tsca: TSCA listed
HS 번호: 29162090
safety_code: 24/25
기존화학 물질: 2010-3-4458

화학 및 산업

용도 및 제조

General Manufacturing InformationBicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,1-dimethylethyl ester: ACTIVE

상·하류 제품 정보

상류 원료

공급사100 곳

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