2-Methyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate

HCID 98465

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 36897-94-6
표준 SMILES: COC(=O)C1C2C=CC(C2)C1C(=O)O
InChIKey: JYZKYCYHXBQTCY-UHFFFAOYSA-N
분자식: C10H12O4
평균 분자량: 196.2 g/mol
단동위원소 질량: 196.07355886

이름 및 식별자

우선 이름: 2-Methyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
IUPAC: 3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
영어명: 5-NORBORNENE-2,3-DICARBOXYLIC ACID MONOMETHYL ESTER
분자식: C10H12O4
분자량: 196.2

이름 및 동의어

36897-94-6DTXSID50885420Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 2-methyl esterBicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 2-methyl esterRefChem:1063611DTXCID0010248012-Methyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate676-688-73-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid5-Norbornene-2,3-dicarboxylic Acid Monomethyl EsterMFCD001677433-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

이름 더 보기

NSC 168053naphthalenemethanami?NADIC ACID MONOMETHYL ESTERMethyl norbornene-2,3-dicarboxylate5-ene-2,3-dimacetic acidmonomethyl esterNorbornenedicarboxylicacidmonomethylesterMonomethyl5-Norbornene-2,3-dicarboxylate>methyl hydrogen 5-norbornene-2,3-dicarboxylateNorborn-5-ene-2,3-dicarboxylic acid 2-methyl ester

Monomethyl 5-Norbornene-2,3-dicarboxylateNSC 140603Methyl hydrogen (endo-endo)-bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylateMethyl Hydrogen 5-Norbornene-2,3-dicarboxylatemono-methyl cis-5-norbornene-endo-2, 3-dicarboxylateBicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, monomethyl esterBicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, monomethyl estermono-Methyl cis-5-norbornene-endo-2,3-dicarboxylate

데이터베이스 식별자

CAS: 36897-94-6、4883-79-8
PubChem CID: 98465
DTXSID: DTXSID50885420
EC Number: 676-688-7
Nikkaji: J208.809F

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 307

물리화학적 성질

녹는점: 100 °C · 100°C
끓는 점: 327.6 · 327.6±42.0℃ (760 Torr)
밀도: 1.322 · 1.322±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 130.4 · 130.4±21.4℃
산도 계수 (pKa): 4.19 · 4.19±0.40(Predicted)
EPA: 2.2 · Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, monomethyl ester (36897-94-6)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 15 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (93.3%)

규제 정보

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

안전 데이터

tsca: TSCA listed
HS 번호: 2917200090
safety_code: 24/25

화학 및 산업

용도 및 제조

General Manufacturing InformationBicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 2-methyl ester: ACTIVE

공급사64 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

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]

上海策嵘生物科技有限公司[email protected]

武汉鹏垒生物科技有限公司15871464247 · [email protected]

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