Basic information
- Standard SMILES
O=C(Cl)c1cccc2ccccc12- InChIKey
NSNPSJGHTQIXDO-UHFFFAOYSA-N- Molecular formula
- C11H7ClO
- Average molar mass
- 190.62 g/mol
- Monoisotopic mass
- 190.01854252
Names & identifiers
- Preferred name
- 1-Naphthalenecarbonyl chloride
- IUPAC
- naphthalene-1-carbonyl chloride
- English name
- 1-Naphthoyl chloride
- Molecular formula
- C11H7ClO
- Molecular weight
- 190.63
Names & synonyms
1-Naphthoyl chloride879-18-51-Naphthalenecarbonyl chloride1-Naphthoic acid chloride1-(Chlorocarbonyl)naphthalenealpha-Naphthoyl chlorideNSC 9841EINECS 212-903-9DTXSID4061252alphaNaphthoyl chloride1Naphthoic acid chlorideRefChem:434763
Show more names
SKL745SKL1287Naphthoyl chlorid1-NapthoylchlorideTIMTEC-BB SBB0067411-NAPHTOHYL CHLORIDE1-NaphthoylChloride>ALPHA-NAPHTHOYL CHLORIDE1-Naphthoyl chloride,99%
1(Chlorocarbonyl)naphthalene1naphthalenecarbonyl chlorideDTXCID3048603212-903-9naphthalene-1-carbonyl chloride1-NaphthoylchlorideMFCD00004002.alpha.-Naphthoyl chloride
Database identifiers
- CAS
879-18-5- PubChem CID
- 70146
- DTXSID
DTXSID4061252- UNII
- QEJ8QRD2LC
- EC Number
- 212-903-9
- Nikkaji
- J150.362F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesChemical shift
Physical DescriptionLow melting solid or liquid; mp = 26 deg C; [MSDSonline]
Physicochemical properties
- Melting point
- 16 · 16-19 °C (lit.)
- Boiling point
- 190 °C/35 · 190 °C/35 mmHg (lit.)
- Density
- 1.265 g/mL · 1.265 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.652(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Chloroform (Slightly)
- form
- Powder, Flakes or Crystals
- Specific Gravity
- 1.265 · 1.265
- color
- White to almost white
- Water Solubility
- Reacts with water.
- Sensitive
- Moisture Sensitive
- BRN
- 775785 · 775785
- Stability
- Stable. Incompatible with water, moisture, strong oxidizing agents, bases.
- InChI
- 1S/C11H7ClO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
- InChIKey
- NSNPSJGHTQIXDO-UHFFFAOYSA-N
- SMILES
- ClC(=O)c1cccc2ccccc12
- CAS DataBase Reference
- 879 · 879-18-5(CAS DataBase Reference)
- FDA UNII
- 8 QRD2LC · QEJ8QRD2LC
- NIST Chemistry Reference
- 1 · 1-Naphthalenecarbonyl chloride(879-18-5)
- EPA Substance Registry System
- 1 · 1-Naphthalenecarbonyl chloride (879-18-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34-37-14
- Safety Statements
- 26 · 26-36/37/39-45-28A-60-30-20-8
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- F
- 21 · 21
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29163990 · 29163990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information1-Naphthalenecarbonyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCorrosive to skin and eyes; [eChemPortal: ERMA] Reacts violently with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29163990
- risk_code
- 34-37-14
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45-28A-60-30-20-8
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Naphthalenecarbonyl chloride: ACTIVE
Applications
Uses1-Naphthoyl chloride has been used as derivatization reagent in analysis of short-chained dodecyl alcohol ethoxylates and dodecyl alcohol by solid-phase extraction combined with dispersive liquid-liquid micro extraction method, as fluorescent labeling reagent in determination of T-2 and HT-2 toxins by HPLC with fluorescence detection, in Arndt-Eistert synthesis in the presence of trimethylsilyldiazomethane and in preparation of 2-ethyl-1-pentyl-3-(1-naphthoyl)indole.
Uses1-Naphthoyl chloride has been used:as derivatization reagent in analysis of short-chained dodecyl alcohol ethoxylates and dodecyl alcohol by solid-phase extraction combined with dispersive liquid-liquid microextraction methodas fluorescent labeling reagent in determination of T-2 and HT-2 toxins by HPLC with fluorescence detectionin Arndt-Eistert synthesis in the presence of trimethylsilyldiazomethanein preparation of 2-ethyl-1-pentyl-3-(1-naphthoyl)indole
Upstream & downstream products
Upstream raw materials
Downstream products
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