Benzoic acid, 2-iodo-, methyl ester (HCID 69132)

Namen und Bezeichner

Bevorzugter Name: Benzoic acid, 2-iodo-, methyl ester
IUPAC: methyl 2-iodobenzoate
Lokaler Name: Methyl-2-iodbenzoat
Englischer Name: Methyl 2-iodobenzoate
Summenformel: C8H7IO2
Molmasse: 262.04

Namen und Synonyme

Methyl 2-iodobenzoate610-97-92-Iodobenzoic acid methyl esterMethyl o-iodobenzoateBenzoic acid, 2-iodo-, methyl esterBenzoic acid, o-iodo-, methyl esterHCW7KL2LZNEINECS 210-243-6NSC 34638NSC-34638AI3-11097DTXSID7060594

Weitere Namen anzeigen

IBM2-Iodobenzoate2-Iodo Methyl Benzoatemethyl iodobenzoateMethy1O-Methyl iodideMethyl 2-iodobenzoRARECHEM AL BF 0562Methyl-2-iodbenzoat

RefChem:565656DTXCID6042941Benzoic acid, o-iodo-, methyl ester (8CI)210-243-6Methyl-2-iodobenzoateMFCD000163512-Iodo-Benzoic Acid Methyl EsterMETHYL2-IODOBENZOATE

Datenbank-Bezeichner

CAS: 610-97-9
PubChem CID: 69132
DTXSID: DTXSID7060594
UNII: HCW7KL2LZN
EC Number: 210-243-6
Nikkaji: J96.150G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 147

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1439；1439

Physikochemische Eigenschaften

Schmelzpunkt: 64 °C · 64°C
Siedepunkt: 149 · 149-150 °C/10 mmHg (lit.)
Dichte: 1.784 g/mL · 1.784 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.604(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Ethyl Acetate (Slightly), Methanol
Aggregatzustand: Crystalling or Flaky Powder
Farbe: White
Wasserlöslichkeit: INSOLUBLE
BRN: 2206859 · 2206859
Stabilität: Light Sensitive
InChI: 1S/C8H7IO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
InChIKey: BXXLTVBTDZXPTN-UHFFFAOYSA-N
SMILES: COC(=O)c1ccccc1I
CAS Datenbank: 610 · 610-97-9(CAS DataBase Reference)
NIST chemische Informationen: -2 · Methyl-2-iodobenzoate(610-97-9)
EPA chemische Informationen: 2 · Benzoic acid, 2-iodo-, methyl ester (610-97-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (98.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): 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 85 reports by companies from 10 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.

Gefahrenhinweise

Regulatory InformationStatus: No longer Valid Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24639

Hazard Classes and CategoriesSkin Irrit. 2 (98.8%)；Eye Irrit. 2A (98.8%)；STOT SE 3 (97.6%)

Regulatorische Informationen

Regulatory InformationStatus: No longer Valid Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24639

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoic acid, 2-iodo-, methyl ester: INACTIVE

Anwendungen · 1 Eintrag

VerwendenMethyl 2-iodobenzoate may be used in the preparation of:N-substituted 4-methylene-3,4-dihydro-1(2H)-isoquinolin-1-onesmethyl diphenylacetylene-2-carboxylatemethyl 2-heptynylphenylbenzoate(E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoic acid methyl ester4-(2-carbomethoxyphenyl)-3-(1-methylethoxy)cyclobut-3-ene-1,2-dione3-(2-carbomethoxyphenyl)-4-methylcyclobuten-3-ene-1,2-dione 2-(ethylene acetal)

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

2-Methoxycarbonylphenylboronic acid Methyl biphenyl-2-carboxylate 4′-Methylbiphenyl-2-carboxylic acid methyl ester 2-Iodobenzylalkohol 2,2'-Iminodibenzoic acid [R-(E)]-alpha-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol 2-BroMo-5,7-dihydro-7,7-diMethyl-5-phenyl-indeno[2,1-b]carbazole Methyl 2-(trifluoromethyl)benzoate Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

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国药集团化学试剂有限公司86-21-63210123 · [email protected]

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衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

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HRID 10070als Eduktuspto-grants-2006_08

HRID 16769als Eduktuspto-grants-2010_06

HRID 76763als Eduktuspto-grants-2014_09

HRID 103464als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 110637als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 111852als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 126553als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 186998als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

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