3-Bromo-o-xylene

HCID 68472
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Basic information

CAS
576-23-8
Standard SMILES
Cc1cccc(Br)c1C
InChIKey
WLPXNBYWDDYJTN-UHFFFAOYSA-N
Molecular formula
C8H9Br
Average molar mass
185.06 g/mol
Monoisotopic mass
183.98876

Names & identifiers

Preferred name
3-Bromo-o-xylene
IUPAC
1-bromo-2,3-dimethylbenzene
English name
2,3-Dimethylbromobenzene
Molecular formula
C8H9Br
Molecular weight
185.06

Names & synonyms

3-Bromo-o-xyleneEINECS 209-398-2DTXSID90206231NSC 76561RefChem:499288DTXCID90128722209-398-2576-23-82,3-Dimethylbromobenzene1-Bromo-2,3-dimethylbenzene3-Bromo-1,2-dimethylbenzene1-bromo-2,3-dimethyl-benzene
Show more names
3-Brom-o-xylol3-Bromo-1-xylene3-Bromoxylene,99%3-Bromo-1，2-xylene3-Bromoxylene, 99%3-Bromo-o-xylene,99%3-Bromo-1,2-dimethyL
2,3-Dimethyl bromobenzeneBenzene, 1-bromo-2,3-dimethyl-MFCD00000069NSC-76561bromoxileneXylylbromidbromo-o-xyleneNSC76561

Database identifiers

CAS
576-23-8
PubChem CID
68472
DTXSID
DTXSID90206231
UNII
MMB6CL2XRC
EC Number
209-398-2
Nikkaji
J94.992B

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
-20.49 °C · -20.49°C (estimate)
Boiling point
214 °C · 214 °C(lit.)
Density
1.365 g/mL · 1.365 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.560(lit.)
Flash point
177 °F · 177 °F
storage temp.
30 °C · Store below +30°C.

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (92.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22533
Hazard Classes and CategoriesSkin Irrit. 2 (98.1%)；Eye Irrit. 2A (100%)；STOT SE 3 (92.5%)

Regulatory information

Regulatory InformationStatus: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22533

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 2810 6.1/PG 3
hs_code
29039990
risk_code
36/37/38
Signal word
Danger

Chemistry & industry

Applications

Uses3-Bromo-o-xylene is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
盐城市胜达化工有限公司0515-83072966 13016507129
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

23 records
New reaction record

Compound notes

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