Basic information
- Standard SMILES
CC(N)c1ccc(Cl)cc1- InChIKey
PINPOEWMCLFRRB-UHFFFAOYSA-N- Molecular formula
- C8H10ClN
- Average molar mass
- 155.62 g/mol
- Monoisotopic mass
- 155.050177
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)ethylamine
- IUPAC
- 1-(4-chlorophenyl)ethanamine
- English name
- 4-Chloro-alpha-methylbenzylamine
- Molecular formula
- C8H10ClN
- Molecular weight
- 155.62
Names & synonyms
6299-02-11-(4-Chlorophenyl)ethylamineDTXSID101346878RefChem:425341DTXCID308944791-(4-chlorophenyl)ethanamine4-Chloro-alpha-methylbenzylamine1-(4-chlorophenyl)ethan-1-amine4-Chloro-a-methylbenzylamineCHEMBL4214761MFCD00044766Benzenemethanamine, 4-chloro-alpha-methyl-
Show more names
(R)-1-(4-CHLOROPHENYL)ETHANAMINESBB004019549142_ALDRICHASISCHEM C56839EINECS 228-576-0TIMTEC-BB SBB004019P-Chloro-Α-PhenylethylamineP-CHLORO-A-METHYLBENZYLAMINE
(R)-4-Chloro-alpha-methylbenzylamineClophar1-(4-chlorophenyl)-1-ethanamineNSC424521-(4-chlSCHEMBL1770571-(4-chlorophenyl)-ethylaminep-chloro-alpha-methylbenzylamine
Database identifiers
- CAS
6299-02-1- PubChem CID
- 97803
- DTXSID
DTXSID101346878- ChEMBL
CHEMBL4214761- EC Number
- 228-576-0
- Nikkaji
- J206.868K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.4
Physicochemical properties
- Melting point
- 140 · 140-141 °C
- Boiling point
- 82.4 °C · 82.4 °C (2.77537 mmHg)
- Density
- 1.08 g/mL · 1.080 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.543(lit.)
- Flash point
- 217 °F · 217 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.82 · 8.82±0.10(Predicted)
- form
- Liquid
- color
- Clear yellow
- InChI
- 1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
- InChIKey
- PINPOEWMCLFRRB-UHFFFAOYSA-N
- SMILES
- CC(N)c1ccc(Cl)cc1
- CAS DataBase Reference
- 6299 · 6299-02-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2735 · UN 2735 8/PG 3
- WGK Germany
- 3 · 3
- F
- 10 · 10-34
- HazardClass
- IRRITANT
- HS Code
- 29214900 · 29214900
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 10-34
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2735 8/PG 3
- hs_code
- 29214900
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- safety_code
- 26-36/37/39-45
- hazard_class
- IRRITANT
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
Uses1-(4-Chlorophenyl)ethylamine is a chiral amine that may be used in the preparation of N-phenylacetyl-(R)-1-(4-chlorophenyl)ethylamine via enantioselective acylation in aqueous medium and in the presence of penicillin acylase from Alcaligenes faecalis.
Suppliers50 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州格镭生物科技有限公司19903857099; 19937938981
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
湖北斯麦尔医药科技有限公司15527913960 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [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]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津安浩生物科技有限公司[email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
河北朵放科技有限公司13127301785 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
上海美升医药科技有限公司18501708306; 18501708306 · [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]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
Aladdin Scientific[email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
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