Basic information
- CAS
123990-76-1- Standard SMILES
COc1ccc2nc(Cl)c(C)cc2c1- InChIKey
TVLTWDTZDXOKCD-UHFFFAOYSA-N- Molecular formula
- C11H10ClNO
- Average molar mass
- 207.65 g/mol
- Monoisotopic mass
- 207.04509162
Names & identifiers
- Preferred name
- 2-Chloro-6-methoxy-3-methylquinoline
- IUPAC
- 2-chloro-6-methoxy-3-methylquinoline
- English name
- 2-Chloro-6-methoxy-3-methyl-quinoline
- Molecular formula
- C11H10ClNO
- Molecular weight
- 207.66
Names & synonyms
2-chloro-6-methoxy-3-methylquinoline123990-76-1DTXSID60406786RefChem:259118DTXCID10357638800-661-2Quinoline, 2-chloro-6-methoxy-3-methyl-MFCD02179792Quinoline,2-chloro-6-methoxy-3-methyl-2-CHLORO-6-METHOXY-3-METHYL-QUINOLINESCHEMBL1289590SCHEMBL28950013
Show more names
TVLTWDTZDXOKCD-UHFFFAOYSA-NYEA99076AKOS002663663AB11436AS-64117DB-122111CS-0308632EN300-126093
Database identifiers
- CAS
123990-76-1- PubChem CID
- 4914664
- DTXSID
DTXSID60406786- EC Number
- 800-661-2
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 328.2 · 328.2±37.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- 0.51 · 0.51±0.50(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95%)
Safety data
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Hazard statements
- H302-H318
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
郑州汇聚化工有限公司13393710386 · [email protected]
南通博苏医药科技有限公司0513-51005092; 15962844273 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
16 records
Compound notes
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