Basic information
- CAS
102170-52-5- Standard SMILES
Cc1cc(Br)c(N)cc1Cl- InChIKey
ULCBEYQOSOVMMA-UHFFFAOYSA-N- Molecular formula
- C7H7BrClN
- Average molar mass
- 220.49 g/mol
- Monoisotopic mass
- 218.94504
Names & identifiers
- Preferred name
- 2-Bromo-5-chloro-4-methylaniline
- IUPAC
- 2-bromo-5-chloro-4-methylaniline
- English name
- 2-Bromo-5-chloro-4-methyl-aniline
- Molecular formula
- C7H7BrClN
- Molecular weight
- 220.49
Names & synonyms
2-bromo-5-chloro-4-methylaniline102170-52-52-BROMO-5-CHLORO-4-METHYLBENZENAMINEDTXSID20391563RefChem:466773DTXCID70342424842-767-12-BROMO-5-CHLORO-4-METHYL-ANILINEBenzenamine, 2-bromo-5-chloro-4-methyl-MFCD00806533SCHEMBL5238545ULCBEYQOSOVMMA-UHFFFAOYSA-N
Show more names
4-Amino-5-bromo-2-chlorotoluene2-chloro-5-bromo-4-aminotoluene2-Bromo-5-chloro-4-methyl-phenylamine
AB31332-Bromo-5-chloro-4-methylphenylamineAKOS015835119SB30225DS-16849SY152255CS-0076588EN300-137279
Database identifiers
- CAS
102170-52-5- PubChem CID
- 3334656
- DTXSID
DTXSID20391563- EC Number
- 842-767-1
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Melting point
- 90 °C · 90 °C
- Boiling point
- 281.3 · 281.3±35.0 °C(Predicted)
- Density
- 1.619 · 1.619±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.91 · 1.91±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C7H7BrClN/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,10H2,1H3
- InChIKey
- ULCBEYQOSOVMMA-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(Cl)=C(C)C=C1Br
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HS Code
- 2921420090 · 2921420090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers53 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
4 records
Compound notes
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