5-ノルボルネン-2,3-ジカルボン酸モノメチル

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

HCID 98465

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 36897-94-6
標準SMILES: COC(=O)C1C2C=CC(C2)C1C(=O)O
InChIKey: JYZKYCYHXBQTCY-UHFFFAOYSA-N
分子式: C10H12O4
平均分子量: 196.2 g/mol
単同位体質量: 196.07355886

名称と識別子

優先名称: 2-Methyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
IUPAC: 3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
現地名: 5-ノルボルネン-2,3-ジカルボン酸モノメチル
英語名: 5-NORBORNENE-2,3-DICARBOXYLIC ACID MONOMETHYL ESTER
分子式: C10H12O4
分子量: 196.2

名称と別名

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

名称をさらに表示

5-ノルボルネン-2,3-ジカルボン酸モノメチルビシクロ[2.2.1]ヘプタン-5-エン-2,3-ジカルボン酸3-メチル3-(メトキシカルボニル)ノルボルナ-5-エン-2-カルボン酸ビシクロ[2.2.1]ヘプタ-2-エン-5,6-ジカルボン酸5-メチルノルボルナ-5-エン-2,3-ジカルボン酸2-メチルビシクロ[2.2.1]ヘプタ-5-エン-2,3-ジカルボン酸2-メチル5-ノルボルネン-2,3-ジカルボン酸水素メチル5-ノルボルネン-2,3-ジカルボン酸モノメチルエステル3-(メトキシカルボニル)ビシクロ[2.2.1]ヘプタ-5-エン-2-カルボン酸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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.7
極性表面積: 63.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 14
形式電荷: 0
複雑度: 307

物理化学的性質

融点: 100 °C · 100°C
沸点: 327.6 · 327.6±42.0℃ (760 Torr)
比重(密度): 1.322 · 1.322±0.06 g/cm3 (20 ºC 760 Torr)
闪点: 130.4 · 130.4±21.4℃
酸解離定数(Pka): 4.19 · 4.19±0.40(Predicted)
CAS データベース: 36897 · 36897-94-6
EPAの化学物質情報: 2.2 · Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, monomethyl ester (36897-94-6)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

法規制情報

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

安全データ

tsca: TSCA listed
hs_code: 2917200090
safety_code: 24/25

化学と産業

用途と製造

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

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