Basic information
- Standard SMILES
CC(=O)Nc1c(C)cccc1C- InChIKey
NRPTXWYBRKRZES-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- N-Acetyl-2,6-xylidine
- IUPAC
- N-(2,6-dimethylphenyl)acetamide
- English name
- 2',6'-DIMETHYLACETANILIDE
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
N-(2,6-Dimethylphenyl)acetamide2198-53-02',6'-Dimethylacetanilide2,6-DimethylacetanilideAcetamide, N-(2,6-dimethylphenyl)-2',6'-ACETOXYLIDIDEN-Acetyl-2,6-xylidineN-Acetyl-2,6-dimethylanilineNSC 54130Acetanilide, 2',6'-dimethyl-68GZI4J9FMN-Acetoxy-2,6-dimethylaniline
Show more names
Lidocaine EP Impurity C2,6-Acetoxylide2’,6’-AcetoxylididLIDOCAINE EP IMP CTIMTEC-BB SBB008144Lidocaine Impurity 7N-Acetyl-2,6-xylidene
EINECS 218-596-8NSC-54130BRN 2208750DTXSID2062244LIDOCAINE IMPURITY C [EP IMPURITY]LIDOCAINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]LIDOCAINE IMPURITY C (EP IMPURITY)LIDOCAINE HYDROCHLORIDE IMPURITY C (EP IMPURITY)
Database identifiers
- CAS
2198-53-0- PubChem CID
- 16616
- DTXSID
DTXSID2062244- UNII
- 68GZI4J9FM
- EC Number
- 218-596-8
- Nikkaji
- J55.070A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Melting point
- 182 · 182-184 °C(lit.)
- Boiling point
- 290.31 °C · 290.31°C (rough estimate)
- Density
- 1.052 · 1.052
- refractive index
- 1.54 · 1.5400 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 15.14 · 15.14±0.70(Predicted)
- color
- Crystals
- InChI
- 1S/C10H13NO/c1-7-5-4-6-8(2)10(7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
- InChIKey
- NRPTXWYBRKRZES-UHFFFAOYSA-N
- SMILES
- CC(=O)Nc1c(C)cccc1C
- CAS DataBase Reference
- 2198 · 2198-53-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 68 GZI4J9FM · 68GZI4J9FM
- EPA Substance Registry System
- Acetamide, N-(2,6-dimethylphenyl)- (2198-53-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 7470000 · AN7470000
- TSCA
- TSCA listed
- HS Code
- 29242990 · 29242990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 orl-mus: · LD50 orl-mus: 620 mg/kg TXAPA9 19,20,71
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AN7470000
- hs_code
- 29242990
- Toxicity
- LD50 orl-mus: 620 mg/kg TXAPA9 19,20,71
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationAcetamide, N-(2,6-dimethylphenyl)-: ACTIVE
Applications
UsesLidocaine (L397800) impurity.
General Description2,6-Dimethylacetanilide undergoes iodination by electrophylic substitution reaction of chloroacetanilide, in the presence of ferroiodide and copperchloride as catalyst, to form 4-iodine-2,6-dimethylacetanilide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
天津始加生物医药科技有限公司15022261580 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
上海策嵘生物科技有限公司[email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [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]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
天津佶品佳化工科技有限公司18622448868 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
凯试（上海）科技有限公司021-50135380 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
上海缘启生物科技有限公司+86-2332782371 +86-18120098618 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
深圳卓越生物医药科技有限公司0755-26050679 18318671572 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Related reactions
12 records
Linked notes
Loading…