Basic information
- CAS
698-01-1- Standard SMILES
CN(C)c1ccccc1Cl- InChIKey
QDCPXCIPVQJVDD-UHFFFAOYSA-N- Molecular formula
- C8H10ClN
- Average molar mass
- 155.62 g/mol
- Monoisotopic mass
- 155.050177
Names & identifiers
- Preferred name
- Aniline, o-chloro-N,N-dimethyl-
- IUPAC
- 2-chloro-N,N-dimethylaniline
- English name
- 2-Chloro-N,N-dimethylaniline
- Molecular formula
- C8H10ClN
- Molecular weight
- 155.62
Names & synonyms
2-Chloro-N,N-dimethylaniline698-01-1o-Chloro-N,N-dimethylanilineBenzenamine, 2-chloro-N,N-dimethyl-HSDB 2719ANILINE, O-CHLORO-N,N-DIMETHYL-L0R3P6H8FE2-chloro-N,N-dimethylbenzenamineDTXSID402200882-CHLORO-N,N-DIMETHYLANILINE [HSDB]oChloroN,Ndimethylaniline2ChloroN,Ndimethylaniline
Show more names
o-chloro-n,n-dimethyl-anilin2-chloro-n,n-dimethyl-benzenamin2-chloro-N,N-dimethyl- Benzenamine
RefChem:558112Benzenamine, 2chloroN,NdimethylDTXCID40142579109-170-1MFCD034527922-chloro-N,N-dimethyl-anilineCS-0151312Q27282557
Database identifiers
- CAS
698-01-1- PubChem CID
- 12772
- DTXSID
DTXSID40220088- UNII
- L0R3P6H8FE
- EC Number
- 109-170-1
- Nikkaji
- J1.844.588C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 145 °C · 145 °C
- Boiling point
- 70 °C/7mm · 70°C/7mm
- Density
- 1.1067 · 1.1067
- refractive index
- 1.5578 · 1.5578 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 4.4 · 4.40±0.18(Predicted)
- Specific Gravity
- 1.116 · 1.116
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C8H10ClN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
- InChIKey
- QDCPXCIPVQJVDD-UHFFFAOYSA-N
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazards SummaryEmergency treatment: methemoglobinemia; [HSDB] See Aniline.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Human Toxicity Excerpts
SYMPTOMATOLOGY: 1. GRAYISH BLUE CYANOSIS... 2. ...HEADACHE, NAUSEA...VOMITING, DRYNESS OF THROAT. 3. ...CONFUSION, ATAXIA, VERTIGO, TINNITUS, WEAKNESS, DISORIENTATION, LETHARGY, DROWSINESS AND COMA. 4. CARDIAC EFFECTS: HEART BLOCKS, ARRHYTHMIAS AND SHOCK. 5. DEATH...USUALLY DUE TO CARDIOVASCULAR COLLAPSE... /ANILINE/
SYMPTOMATOLOGY: 6. URINARY SIGNS AND SYMPTOMS MAY INCLUDE PAINFUL MICTURITION, HEMATURIA, HEMOGLOBINURIA (AND METHEMOGLOBINURIA), OLIGURIA, AND RENAL INSUFFICIENCY... /ANILINE/
Safety data
- wgk
- WGK 3
- hs_code
- 2921490090
- risk_code
- 36
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers55 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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