1-(Chlormethyl)-naphthalin
1-Chloromethylnaphthalene
Grundinformationen
- CAS
35255-58-4- Standard-SMILES
ClCc1cccc2ccccc12- InChIKey
XMWGTKZEDLCVIG-UHFFFAOYSA-N- Summenformel
- C11H9Cl
- Durchschnittliche Molmasse
- 176,64 g/mol
- Monoisotopische Masse
- 176,039278
Überblick
causes erythema multiforme-like eruption; structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 1-Chloromethylnaphthalene
- IUPAC
- 1-(chloromethyl)naphthalene
- Lokaler Name
- 1-(Chlormethyl)-naphthalin
- Englischer Name
- 1-Chloromethyl naphthalene
- Summenformel
- C11H9Cl
- Molmasse
- 176.64
Namen und Synonyme
1-Chloromethylnaphthalene1-Cl-me-naphthaleneRefChem:4275091-CMN1-(CHLOROMETHYL)NAPHTHALENE86-52-21-Chloromethyl naphthaleneNaphthalene, 1-(chloromethyl)-1-Naphthylmethyl chloride(Chloromethyl)naphthalene1-Menaphthyl chloride35255-58-4
Weitere Namen anzeigen
1-menaphthylchlorideJACS-86-52-2AKOS BBS-00004040-Menaphthylchloride1-Chloromethyl naphtNaftifine Impurity 5Naftifine Impurity 7
Naphthalene, 1-chloromethyl-1-(Chlormethyl)naftalenNSC 84731-(chloromethyl)-naphthalene.alpha.-(Chloromethyl)naphthaleneMFCD000040421-Chloromethyl-naphthaleneKD3RZ3R8C4
Datenbank-Bezeichner
- CAS
35255-58-4、86-52-2- PubChem CID
- 6845
- DTXSID
DTXSID5058939- UNII
- KD3RZ3R8C4
- EC Number
- 201-678-2、252-469-8
- Nikkaji
- J32.568F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 144
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Naphthalenes
SpringerMaterials PropertiesBoiling point
Physical DescriptionPale yellow solid with a pungent odor; mp = 31-33 deg C; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 32 °C · 32 °C(lit.)
- Siedepunkt
- 291 °C · 291 °C
- Dichte
- 1.18 g/mL · 1.18 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.635(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform, Ethyl Acetate (Slightly), Methanol (Sparingly)
- Aggregatzustand
- Liquid After Melting
- Wichte
- 1.18 · 1.18
- Farbe
- deep brown
- Wasserlöslichkeit
- Insoluble in water.
- BRN
- 636885 · 636885
- InChI
- 1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
- InChIKey
- XMWGTKZEDLCVIG-UHFFFAOYSA-N
- SMILES
- ClCc1cccc2ccccc12
- LogP
- 3.97 at · 3.97 at 20℃
- CAS Datenbank
- 86 · 86-52-2(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Naphthalene, 1-(chloromethyl)-(86-52-2)
- EPA chemische Informationen
- 1 · Naphthalene, 1-(chloromethyl)- (86-52-2)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Naphthalene, 1-(chloromethyl)-
Naphthalene, 1-(chloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphthalene, 1-(chloromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 1-(chloromethyl)naphthalene (EC: 201-678-2)
1-(Chloromethyl) naphthalene: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes lachrymation, diarrhea, and increased body temperature in dermal lethal-dose studies of rats; [RTECS] Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29036990
- RTECS-Nr.
- QJ2800000
- risk_code
- 21/22-34-36/37/38-36-20/21/22
- hazard_code
- C,Xn
- safety_code
- 26-36/37/39-45-60-20-27
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <50,000 lb
General Manufacturing InformationNaphthalene, 1-(chloromethyl)-: ACTIVE
Anwendungen
Verwenden1-(Chloromethyl)naphthalene is a key material for synthesis dye pigment and as fluorescent brightening agent. It is employed in synthetic resin and medicine. Palladium-catalyzed nucleophilic dearomatization of chloromethyl naphthalene derivatives produce ortho- or para-substituted carbocycles in satisfactory to excellent yields.
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