Basic information
- CAS
932-96-7- Standard SMILES
CNc1ccc(Cl)cc1- InChIKey
XCEYKKJMLOFDSS-UHFFFAOYSA-N- Molecular formula
- C7H8ClN
- Average molar mass
- 141.6 g/mol
- Monoisotopic mass
- 141.03452694
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- 4-Chloro-N-methylbenzenamine
- IUPAC
- 4-chloro-N-methylaniline
- English name
- 4-Chloro-N-methylaniline
- Molecular formula
- C7H8ClN
- Molecular weight
- 141.6
Names & synonyms
4-Chloro-N-methylaniline932-96-7p-Chloro-N-methylanilineN-Methyl-p-chloroanilineBenzenamine, 4-chloro-N-methyl-4-Chloro-N-methylbenzenamine2IXY9JA2P8DTXSID80239331RefChem:98535DTXCID00161822213-262-8N-Methyl-4-chloroaniline
Show more names
4-CHLORO-N-TOLUIDINECHLORO-N-METHYLANILINEp-chloro-n-methyl-anilinMethyl(4-chlorophenyl)amine
N-(p-Chlorobenzyl)methylamineAniline, p-chloro-N-methyl-N-(4-Chlorophenyl)-N-methylaminep-(Methylamino)chlorobenzeneMFCD00000614n-(4-chlorophenyl)methylamineCCRIS 2889EINECS 213-262-8
Database identifiers
- CAS
932-96-7- PubChem CID
- 70272
- DTXSID
DTXSID80239331- UNII
- 2IXY9JA2P8
- EC Number
- 213-262-8
- Nikkaji
- J28.357F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 77
Physicochemical properties
- Boiling point
- 239 °C · 239 °C (lit.)
- Density
- 1.169 g/mL · 1.169 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.584(lit.)
- Flash point
- 125 °F · 125 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 1 · pK1: 3.9(+1) (25°C)
- form
- liquid
- Appearance
- Light yellow to yellow Liquid
- BRN
- 2205846 · 2205846
- InChI
- InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
- InChIKey
- XCEYKKJMLOFDSS-UHFFFAOYSA-N
- SMILES
- C1(NC)=CC=C(Cl)C=C1
- CAS DataBase Reference
- 932 · 932-96-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 IXY9JA2P8 · 2IXY9JA2P8
- NIST Chemistry Reference
- 4 · Benzenamine, 4-chloro-N-methyl-(932-96-7)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H302-H312-H331-H373-H226-H318-H335-H412
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P403+P235-P501-P260-P304+P340-P405-P501a-P261-P273-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 10 · 10-36/37-36/37/38-20/21/22
- Safety Statements
- 16 · 16-26-36/37/39
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 9857900 · CX9857900
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29214990 · 29214990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 Eye · Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3STOT SE 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (88.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (88.9%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- CX9857900
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29214990
- risk_code
- 10-36/37-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07,GHS06,GHS08
- hazard_code
- Xi,Xn
- safety_code
- 16-26-36/37/39
- hazard_class
- 6.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H302-H312-H331-H373-H226-H318-H335-H412
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3STOT SE 3
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P403+P235-P501-P260-P304+P340-P405-P501a-P261-P273-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationMultiple -> Transformation products
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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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]
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上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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Related reactions
65 records
Compound notes
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