2-Iodo-3-methylbenzoic acid

HCID 2759365
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Grundinformationen

CAS
108078-14-4
Standard-SMILES
Cc1cccc(C(=O)O)c1I
InChIKey
PZUXUOZSSYKAMX-UHFFFAOYSA-N
Summenformel
C8H7IO2
Durchschnittliche Molmasse
262,04 g/mol
Monoisotopische Masse
261,94908

Namen und Bezeichner

Bevorzugter Name
2-Iodo-3-methylbenzoic acid
IUPAC
2-iodo-3-methylbenzoic acid
Englischer Name
2-Iodo-3-methylbenzoic acid
Summenformel
C8H7IO2
Molmasse
262.04

Namen und Synonyme

2-Iodo-3-methylbenzoic acid108078-14-4DTXSID50374763RefChem:262170DTXCID30325793675-836-8MFCD000797642-iodo-3-methyl-benzoic Acid3-methyl-2-iodobenzoic acid2-Iodo-3-methylbenzoic acid, 97%AKOS000140314AS-20027
Weitere Namen anzeigen
BUTTPARK 148\07-11Suvorexant Impurity 312-Iodo-6-methylanisole2-Iodo-3-methylbenzoic acid 97%
Z2396852302-IODO-M-TOLUIC ACIDBenzoic acid,2-i2-Iodo-3-methylbenzoicacidSCHEMBL3505062-Iodo-3-methyl benzoic acidBenzoic acid, 2-iodo-3-methyl-SBB102482

Datenbank-Bezeichner

CAS
108078-14-4
PubChem CID
2759365
DTXSID
DTXSID50374763
EC Number
675-836-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,5
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
11

Physikochemische Eigenschaften

Schmelzpunkt
150 · 150-153 °C (lit.)
Siedepunkt
323.5 · 323.5±30.0 °C(Predicted)
Dichte
1.867 · 1.867±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
pka
2.93 · 2.93±0.10(Predicted)
BRN
2439521 · 2439521

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.9%): 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 9 reports by companies from 5 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (88.9%)

Sicherheitsdaten

wgk
3
hs_code
29163990
risk_code
36/37/38
safety_code
22-24/25
hazard_class
LIGHT SENSITIVE
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden2-Iodo-3-methylbenzoic acid may be used in the synthesis of:methyl 2-iodo-3-methylbenzoate 10,11-dihydro-10-oxodibenz[b,f]oxepin-4-acetic acid5-methyl-3-pentyl-1H-isochromen-1-one

Anbieter100 Anbieter

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [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]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

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