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CAS Number: 6286-46-0
2-bromo-4,5-dimethoxybenzoic acid

Structure

2-bromo-4,5-dimethoxybenzoic acid
Name: 2-bromo-4,5-dimethoxybenzoic acid
Synonyms:
General Information
Product Number: 6286460

CAS Registry Number 6286-46-0
Name:
Benzoic acid, 2-​bromo-​4,​5-​dimethoxy-
Veratric acid, 6-bromo- (6CI)
2-Bromo-4,5-dimethoxybenzoic acid
6-Bromoveratric acid
NSC 10074

 

Chemical Formula: C9H9BrO4
Exact Mass: 259.97
Molecular Weight: 261.07
m/z: 259.97 (100.0%), 261.97 (98.1%), 260.97 (10.0%), 262.97 (9.7%), 263.97 (1.2%)

 

InChI: InChI=1S/C9H9BrO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12)
InChIKey: HWFCHCRFQWEFMU-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=C(C(=C1)C(=O)O)Br)OC

 

Thermal Properties Value Condition Note
Melting Point 186-187 °C   (2)CAS
Melting Point 184-185 °C   (3)CAS
Melting Point 184 °C   (4)CAS
Melting Point 183-184 °C   (5)CAS
Melting Point 183-184 °C   (6)CAS
Melting Point 182-183 °C   (7)CAS
Melting Point 143-144 °C Solv: methanol (67-56-1) (8)CAS
Melting Point 142-143 °C   (9)CAS
Melting Point See full text   (10)CAS

Specification

98%

References
  1. (2) Wittmer, Franklin B.; Journal of Organic Chemistry 1945, V10, P527-32 CAPLUS
  2. (3) Raiford, L. Chas.; Journal of Organic Chemistry 1942, V7, P354-61 CAPLUS
  3. (4) Tomita, Masao; Yakugaku Zasshi 1956, V76, P1119-22 CAPLUS
  4. (5) Heap, Tom; Journal of the Chemical Society 1927, P2021-2 CAPLUS
  5. (6) Shinoda, J.; Yakugaku Zasshi 1929, V49, P565-75 CAPLUS
  6. (7) Ozawa, Tatsuo; Yakugaku Zasshi 1952, V72, P551-3 CAPLUS
  7. (8) Tomita, Masao; Yakugaku Zasshi 1955, V75, P1354-7 CAPLUS
  8. (9) Kametani, Tetsuji; US 3322830 1967 CAPLUS
  9. (10) Rosenkranz, Jorge; Ciencia (Mexico City) 1945, V6, P364-8 CAPLUS
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