1-(Mercaptomethyl)cyclopropaneacetic acid

HCID 9793825
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Grundinformationen

CAS
162515-68-6
Standard-SMILES
O=C(O)CC1(CS)CC1
InChIKey
VFAXPOVKNPTBTM-UHFFFAOYSA-N
Summenformel
C6H10O2S
Durchschnittliche Molmasse
146,21 g/mol
Monoisotopische Masse
146,04015073

Namen und Bezeichner

Bevorzugter Name
1-(Mercaptomethyl)cyclopropaneacetic acid
IUPAC
2-[1-(sulfanylmethyl)cyclopropyl]acetic acid
Englischer Name
2-[1-(Mercaptomethyl)cyclopropyl]acetic acid
Summenformel
C6H10O2S
Molmasse
146.21

Namen und Synonyme

162515-68-61-(Mercaptomethyl)cyclopropaneacetic AcidCyclopropaneacetic acid, 1-(mercaptomethyl)-UNII-1X00T93WYX1X00T93WYXDTXSID00167384EC 420-240-3RefChem:74713DTXCID3089875605-290-81-(Mercaptomethyl)cyclopropyl acetic acid2-[1-(Mercaptomethyl)cyclopropyl]acetic acid
Weitere Namen anzeigen
Montelukast intermediate1-(MercaptomethyLopropaneacetic acidAbametapir Impurity 24Montelukast intermdiateMontelukast Impurity 51Montelukast Intermdiates1-(Mercaptomethyl)-Cyclopropyl
2-(1-(mercaptomethyl)cyclopropyl)acetic acid2-[1-(sulfanylmethyl)cyclopropyl]acetic Acid[1-(Mercaptomethyl)cyclopropyl]acetic acidMFCD034116001-(Mercaptomethyl)cyclopropylacetic acid[1-(sulfanylmethyl)cyclopropyl]acetic acidMontelukast Mercapto ImpuritySCHEMBL625309

Datenbank-Bezeichner

CAS
162515-68-6
PubChem CID
9793825
DTXSID
DTXSID00167384
UNII
1X00T93WYX
EC Number
420-240-3、605-290-8
Nikkaji
J3.423.161C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,6
Polarare Oberfläche (TPSA)
38,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
9

Physikochemische Eigenschaften

Schmelzpunkt
42 · 42-45°C
Siedepunkt
290.1 · 290.1±13.0 °C(Predicted)
Dichte
1.228 · 1.228±0.06 g/cm3(Predicted)
Flammpunkt
110 °C · 110 °C
storage temp.
-20 °C · -20°C Freezer
Löslichkeit
soluble in Methanol

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H312: Harmful in contact with skin [Warning Acute toxicity, dermal]；H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Danger

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 08-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31270；Status: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9301
Hazard Classes and Categories · 4 Einträge

Acute Tox. 4 (100%)；Acute Tox. 4 (85.7%)；Skin Corr. 1B (100%)；Skin Sens. 1 (92.9%)；Eye Dam. 1 (14.3%)；Aquatic Chronic 2 (100%)

Acute Tox. 4 (100%)；Acute Tox. 4 (52.7%)；Skin Corr. 1B (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (47.3%)；Aquatic Chronic 2 (52.7%)

Skin corrosion - category 1B；Acute toxicity - category 4；Acute toxicity - category 4；Skin sensitisation - category 1；Hazardous to the aquatic environment (chronic) - category 2

Acute Tox. 4 *；Acute Tox. 4 *；Skin Corr. 1B；Skin Sens. 1；Aquatic Chronic 2

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 08-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31270；Status: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9301

Sicherheitsdaten

ridadr
3261
hs_code
29309090
risk_code
21/22-34-43-51/53-20/21/22
hazard_code
Xi,N,C
hazard_note
Irritant/Stench
safety_code
22-26-36/37/39-45-61

Chemie und Industrie

Anwendungen

Verwenden2-[1-(Mercaptomethyl)cyclopropyl]acetic acid is used as an intermediate of montelukast.

Vor- und nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
南京兰亚化工贸易有限公司+86-25-8331-5620 · [email protected]
Syntechem Co.,Ltd[email protected]

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