Basic information
- Standard SMILES
ClCc1c2ccccc2cc2ccccc12- InChIKey
PCVRSXXPGXRVEZ-UHFFFAOYSA-N- Molecular formula
- C15H11Cl
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.05492803
Names & identifiers
- Preferred name
- 9-(Chloromethyl)anthracene
- IUPAC
- 9-(chloromethyl)anthracene
- English name
- 9-(Chloromethyl)anthracene
- Molecular formula
- C15H11Cl
- Molecular weight
- 226.7
Names & synonyms
9-(Chloromethyl)anthracene24463-19-29-ChloromethylanthraceneAnthracene, 9-(chloromethyl)-8C4ZDD4KUVANTHRACENE, 9-CHLOROMETHYL-NSC-241165DTXSID00179220RefChem:107700DTXCID30101711246-274-79-Anthracenylmethyl chloride
Show more names
icr4489-Chlormethyl-anthracen9-chloromethyl-anthracen9-(choromethyl)anthracene9-(chloroMethyl)antracene(9-Anthrylmethyl) chloride(9-Anthryl)methyl chloride
C15H11ClMFCD00001263ICR 4489-ChloromethyanthraceneCCRIS 7993EINECS 246-274-79-chloromethyl-anthraceneNSC 241165
Database identifiers
- CAS
24463-19-2- PubChem CID
- 32385
- DTXSID
DTXSID00179220- ChEMBL
CHEMBL1446266- UNII
- 8C4ZDD4KUV
- EC Number
- 246-274-7
- Nikkaji
- J3.795H
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 138 · 138-140 °C (lit.)
- Boiling point
- 294.66 °C · 294.66°C (rough estimate)
- Density
- 1.151 · 1.1510 (rough estimate)
- refractive index
- 1.6281 · 1.6281 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- chloroform: soluble
- form
- Powder
- color
- Yellow
- Water Solubility
- Soluble in chloroform. Insoluble in water.
- Sensitive
- Light Sensitive
- BRN
- 1873394 · 1873394
- InChI
- InChI=1S/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
- InChIKey
- PCVRSXXPGXRVEZ-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=C3C(=C2CCl)C=CC=C3)=CC=C1
- CAS DataBase Reference
- 24463 · 24463-19-2(CAS DataBase Reference)
- FDA UNII
- 8 C4ZDD4KUV · 8C4ZDD4KUV
- NIST Chemistry Reference
- 9 · 9-(Chloromethyl)anthracene(24463-19-2)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H290-H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P501a-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P261-P305+P351+P338 · P260h-P301+P330+P331-P303+P361+P353-P501a-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 9600000 · CA9600000
- F
- 19 · 19
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29039990 · 29039990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 2267 ug/kg · mouse,LDLo,intravenous,2267ug/kg (2.267mg/kg),Cancer Research. Vol. 36, Pg. 2423, 1976.
- 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 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationAnthracene, 9-(chloromethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (16.7%)
Safety data
- F
- 19
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- CA9600000
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29039990
- Toxicity
- mouse,LDLo,intravenous,2267ug/kg (2.267mg/kg),Cancer Research. Vol. 36, Pg. 2423, 1976.
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335-H290-H314-H318
- 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
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P501a-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P261-P305+P351+P338
Chemistry & industry
Applications
Uses9-(Chloromethyl)anthracene is used as a blocking group reagent used for carboxylic acids, phenols, mercaptans and thiophenols. It is a derivatizing agent for carboxylic acids giving esters with enhanced UV and fluorescence detection in HPLC.
Upstream & downstream products
Upstream raw materials
Downstream products
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