alpha-Chlorohydrin, (+)-

HCID 148904

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 60827-45-4
Standard-SMILES: OC[C@H](O)CCl
InChIKey: SSZWWUDQMAHNAQ-GSVOUGTGSA-N
Summenformel: C3H7ClO2
Durchschnittliche Molmasse: 110,54 g/mol
Monoisotopische Masse: 110,0134572

Namen und Bezeichner

Bevorzugter Name: alpha-Chlorohydrin, (+)-
IUPAC: (2S)-3-chloropropane-1,2-diol
Englischer Name: (S)-(+)-3-Chloro-1,2-propanediol
Summenformel: C3H7ClO2
Molmasse: 110.54

Namen und Synonyme

60827-45-4(S)-(+)-3-Chloro-1,2-propanediol1,2-Propanediol, 3-chloro-, (2S)-(S)-alpha-ChlorohydrinS-3-Chloro-1,2-propanediolCCRIS 73861,2-Propanediol, 3-chloro-, (S)-(2S)-3-Chloro-1,2-propanediolalpha-Chlorohydrin, (+)-UNII-227BD3H6H6227BD3H6H6(S)-MONOCHLOROHYDRIN

Weitere Namen anzeigen

(S)-3-CHLOROPROPANE-1,2-DIOL(S)-3-CHLORO-1,2-PROPANEDIOL(2S)-3-CHLOROPROPANE-1,2-DIOL(S)-3-MCPDS-Chloropropanediol(S)-(+)-3-Chloro-1,2Chloropropanediol,97%S-3-CHLOROPROPANE DIOLCeftobiprole Impurity 123-chloro-2-propanedio(s)-

ALPHA-CHLOROHYDRIN, (S)-.ALPHA.-CHLOROHYDRIN, (S)-S-(+)-.ALPHA.-CHLOROHYDRIN.ALPHA.-CHLOROHYDRIN, (+)-(+)-3-CHLORO-1,2-PROPANEDIOLRefChem:199447(S)-.ALPHA.-CHLOROHYDRINS-(+)-ALPHA-CHLOROHYDRIN

Datenbank-Bezeichner

CAS: 60827-45-4
PubChem CID: 148904
DTXSID: DTXSID701362721
ChEBI: CHEBI:231711
UNII: 227BD3H6H6
EC Number: 612-041-7
Nikkaji: J72.479C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 32

Physikochemische Eigenschaften

Siedepunkt: 213 °C · 213 °C(lit.)
Dichte: 1.322 g/mL · 1.322 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.480(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Wasserlöslichkeit: Completely miscible in water
Aggregatzustand: clear liquid
pka: 13.28 · 13.28±0.20(Predicted)
Farbe: very deep yellow
BRN: 2202929 · 2202929
InChI: InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m1/s1
InChIKey: SSZWWUDQMAHNAQ-GSVOUGTGSA-N
SMILES: C(O)[C@H](O)CCl
CAS Datenbank: 60827 · 60827-45-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H330 (10.6%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H360 (10.6%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 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 CategoriesAcute Tox. 3 (97.9%)；Acute Tox. 4 (95.7%)；Skin Irrit. 2 (12.8%)；Eye Dam. 1 (100%)；Acute Tox. 2 (10.6%)；Repr. 1A (10.6%)

Sicherheitsdaten

F: 3-10
wgk: 3
ridadr: UN 2689 6.1/PG 3
hs_code: 29055900
RTECS-Nr.: TY4202300
risk_code: 21-25-41-68-62-36/37/38-23/25
hazard_code: T
safety_code: 26-28-39-45-36/37/39
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalEye Dam. 1