Basic information
- CAS
1145-56-8- Standard SMILES
O=C(CCl)NC(Cc1ccc(O)cc1)C(=O)O- InChIKey
GDOGSOZOUAVIFX-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO4
- Average molar mass
- 257.67 g/mol
- Monoisotopic mass
- 257.0454856
Names & identifiers
- Preferred name
- N-chloroacetyl-L-tyrosine
- IUPAC
- 2-[(2-chloroacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid
- English name
- Chloroacetyl-L-tyrosine
- Molecular formula
- C11H12ClNO4
- Molecular weight
- 257.67
Names & synonyms
EINECS 214-544-3NSC 523824RefChem:829497214-544-3N-Chloroacetyl-L-tyrosine(2-Chloroacetyl)tyrosineChloroacetyl-L-tyrosineTyrosine, N-(chloroacetyl)-23965-60-8MFCD002310002-[(2-chloroacetyl)amino]-3-(4-hydroxyphenyl)propanoic acidn-(chloroacetyl)tyrosine
Show more names
N-(2-CHLOROACETYL)-L-TYROSINENSC 52382CLAC-TYR-OHCHLOROAC-TYR-OHCHLOROAC-TYROSINE-OHN-CHLOROACETYL-L-TYRChloroacetyl-L-Tyr-OHH-N-Chloroacetyl-Tyr-OH
NSC523824N-chloroacetyl-d-tyrN-chloroacetyl-tyrosine(2S)-2-(2-chloroacetamido)-3-(4-hydroxyphenyl)propanoic acidCHLOROACETYL-DL-TYROSINESCHEMBL3510333ALBB-036633AKOS003382256
Database identifiers
- CAS
1145-56-8- PubChem CID
- 70841
- EC Number
- 214-544-3
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 153 · 153-154 °C
- Boiling point
- 556.6 · 556.6±50.0 °C(Predicted)
- Density
- 1.411 · 1.411
- refractive index
- 60 ° · 60 ° (C=2, EtOH)
- storage temp.
- 20 °C · −20°C
- pka
- 3.04 · 3.04±0.10(Predicted)
- form
- powder to crystal
- color
- White to Light yellow
- CAS DataBase Reference
- 1145 · 1145-56-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers39 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Related reactions
1 records
Compound notes
Loading…