Chlormethylbenzoat

Chloromethyl benzoate

HCID 79257CAS 5335-05-7

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Grundinformationen

Standard-SMILES: O=C(OCCl)c1ccccc1
InChIKey: BOXZXICVMMSYPE-UHFFFAOYSA-N
Summenformel: C8H7ClO2
Durchschnittliche Molmasse: 170,59 g/mol
Monoisotopische Masse: 170,0134572

Namen und Bezeichner

Bevorzugter Name: Chloromethyl benzoate
IUPAC: chloromethyl benzoate
Lokaler Name: Chlormethylbenzoat
Englischer Name: Chloromethyl benzoate
Summenformel: C8H7ClO2
Molmasse: 170.59

Namen und Synonyme

Chloromethyl benzoate5335-05-79K5D6QG3XNMethanol, chloro-, benzoateNSC-2876DTXSID30967975NSC 2876EINECS 226-254-4METHANOL, 1-CHLORO-, 1-BENZOATEAI3-17422RefChem:125438DTXCID401395567

Weitere Namen anzeigen

Chloromethanol benzoateMethanol,1-chloro-,benzoateBenzoic acid chlroMethyl ester

226-254-4ChloromethylbenzoateMFCD00040116BENZOIC ACID CHLOROMETHYL ESTERC6H5COOCH2ClUNII-9K5D6QG3XNSCHEMBL557186BENZOYLOXYMETHYL CHLORIDE

Datenbank-Bezeichner

CAS: 5335-05-7
PubChem CID: 79257
DTXSID: DTXSID30967975
UNII: 9K5D6QG3XN
EC Number: 226-254-4
Nikkaji: J217.895H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 130

Physikochemische Eigenschaften

Siedepunkt: 114 · 114-115 °C(Press: 8 Torr)
Dichte: 1.229 · 1.229±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: liquid
Farbe: Colourless
EPA chemische Informationen: Chloromethyl benzoate (5335-05-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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: Active Update: 14-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23210

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Acute Tox. 4 (66.7%)；Skin Corr. 1B (66.7%)；Skin Irrit. 2 (33.3%)；Skin Sens. 1 (66.7%)；Eye Irrit. 2 (33.3%)；Acute Tox. 4 (66.7%)；STOT SE 3 (33.3%)