Basic information
- Standard SMILES
O=Cc1cccc2ccccc12- InChIKey
SQAINHDHICKHLX-UHFFFAOYSA-N- Molecular formula
- C11H8O
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.05751487
Names & identifiers
- Preferred name
- 1-Naphthaldehyde
- IUPAC
- naphthalene-1-carbaldehyde
- English name
- 1-Naphthaldehyde
- Molecular formula
- C11H8O
- Molecular weight
- 156.18
Names & synonyms
1-Naphthaldehyde66-77-3naphthalene-1-carbaldehyde1-Formylnaphthalenealpha-Naphthaldehyde1-Naphthylaldehydealpha-Naphthal1-NAPHTHALENECARBOXALDEHYDEalpha-Naphthylcarboxaldehydealpha-NaphthylaldehydeH3I0B5F8SXDTXSID5058775
Show more names
naphthalNaphthalene-1-carboxaldehyde
CHEBI:52367NSC-6106RefChem:434723DTXCID2044686200-633-4Naphthaldehydenaphthalene-1-aldehydeI-Napthaldehyde
Database identifiers
- CAS
30678-61-6、66-77-3- PubChem CID
- 6195
- DTXSID
DTXSID5058775- ChEMBL
CHEMBL3265260- ChEBI
CHEBI:52367- UNII
- H3I0B5F8SX
- EC Number
- 200-633-4
- Nikkaji
- J4.846A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Experimental & physicochemical properties
Physical DescriptionYellow liquid with a pungent odor; [Alfa Aesar MSDS]
Kovats Retention Index
1467
249.26；257.4
2364
Physicochemical properties
- Melting point
- 1 · 1-2 °C (lit.)
- Boiling point
- 160 · 160-161 °C/15 mmHg (lit.)
- Density
- 1.15 g/mL · 1.15 g/mL at 25 °C (lit.)
- vapor density
- 1 · >1 (vs air)
- refractive index
- 20 · n20/D 1.652(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 1 g/l · <1g/l
- form
- Liquid
- Specific Gravity
- 1.15 · 1.15
- color
- Clear yellow to dark yellow-brown
- PH
- 7 · 7 (< 1g/l, H2O, 20℃)
- Water Solubility
- Soluble in ethanol, ether, acetone, benzene. Insoluble in water.
- Sensitive
- Air Sensitive
- BRN
- 386082 · 386082
- InChI
- 1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
- InChIKey
- SQAINHDHICKHLX-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1cccc2ccccc12
- CAS DataBase Reference
- 66 · 66-77-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 I0B5F8SX · H3I0B5F8SX
- NIST Chemistry Reference
- 1 · 1-Naphthalenecarboxaldehyde(66-77-3)
- EPA Substance Registry System
- 1 · 1-Naphthaldehyde (66-77-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 37 · 37/39-26-24/25-36/37-23-36-16
- RIDADR
- 3082 · 3082
- WGK Germany
- 3 · 3
- RTECS
- 190000 · QJ0190000
- TSCA
- TSCA listed
- PackingGroup
- III
- HS Code
- 29122900 · 29122900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Danger
H290 (41.4%): May be corrosive to metals [Warning Corrosive to Metals]；H301 (42.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (56.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (42.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (41.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (11.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (41.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H412 (41.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P234, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 133 reports by companies from 12 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.
Hazard information
Regulatory Information
Chemical: 1-Naphthalenecarboxaldehyde
1-Naphthaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes somnolence and muscle weakness in oral lethal-dose studies of rats; Dermal LD50 (guinea pig) >20 mL/kg; [RTECS] A skin, respiratory tract, and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 2-Hydroxy-1-naphthaldehyde. See 2-Methylbenzaldehyde.
Hazard Classes and CategoriesMet. Corr. 1 (41.4%)；Acute Tox. 3 (42.1%)；Acute Tox. 4 (56.4%)；Acute Tox. 4 (42.9%)；Skin Corr. 1A (41.4%)；Skin Irrit. 2 (11.3%)；Eye Dam. 1 (41.4%)；Aquatic Chronic 3 (41.4%)
Regulatory information
Regulatory Information
Chemical: 1-Naphthalenecarboxaldehyde
1-Naphthaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QJ0190000
- ridadr
- 3082
- hs_code
- 29122900
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 37/39-26-24/25-36/37-23-36-16
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Pharmacology
Metabolism/Metabolites1-Naphtaldehyde has known human metabolites that include 1-Nahthalenethanol and 1-Naphthoic acid.；1-Naphtaldehyde is a known human metabolite of terbinafine.
Cellular LocationsMembrane
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information1-Naphthalenecarboxaldehyde: ACTIVE
Applications
Uses1-Naphthaldehyde is used in the synthesis of single-crystalline homochiral porous metal-organic frameworks (MOFs). It is also a starting material for the Canizzaro reaction to produce 1-Naphthoic acid and 1-Naphthalenemethanol.
Uses1-Naphthaldehyde can be used to synthesize:(S)-1-α-naphthyl-1-ethanolN-(4-aryl)-N-(α-naphthyliden)aminesN-aryl-N-[1-(1-naphthyl)but-3-enyl]aminesnaphthalene-1-carboxylic acid methyl ester
Upstream & downstream products
Downstream products
Suppliers50 total
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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
西安康诺化工有限公司029-86107037-8014 18292830413
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
唐山默内德贸易有限公司0315-8309571 15633399667 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津希恩思生化科技有限公司400 638 7771 · [email protected]
常州创视电子科技有限公司+86 (519) 8829-2061 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Additional notes
DefinitionChEBI: A naphthaldehyde with a formyl group at position 1.
Related reactions
239 records
Linked notes
Loading…